基本描述

别名	苯并咪唑 \| 间二氮茚 \| 1,3-苯并二氮唑
英文别名	1H-Benzoimidazole \| 1H-1,3-benzodiazole \| Benzoimidazole \| 1H-Benzimidazole \| Azindole \| Benzoglyoxaline \| Benziminazole \| 1,3-Diazaindene \| BENZIMIDAZOLE \| o-Benzimidazole \| 1H-Benzo[d]imidazole \| Benzimidazol \| 1,3-Benzodiazole \| 3-Azaindole
规格或纯度	AR, ≥98%(HPLC)
英文名称	Benzimidazole（BZI）
运输条件	常规运输
产品介绍	呈弱碱性，微溶于冷水和乙醛，稍溶于热水，易溶于乙醇、沸二甲苯；酸及强碱水溶液，几乎不溶于苯和石油醚。有较好的化学稳定性。苯并咪唑被用作模板化合物，通过吡咯在铅笔石墨电极上的电聚合和电沉积，制备分子印迹聚合物。它还用于制备苯并咪唑表面活性剂、1-十六烷基-1H-苯并咪唑。 Usually used as template compound in the preparation of molecularly imprinted polymer via electropolymerization and electrodeposition of pyrrole on a pencil graphite electrode,and also used in the preparation of benzimidazolium surfactant, 1-hexadecyl-1H-benzimidazole.

关联靶点（人）

ROCK1 Tclin Rho-associated protein kinase 1 (4723 活性数据)

点击查看靶蛋白信息： ROCK1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP1A1 Tchem Cytochrome P450 1A1 (1169 活性数据)

点击查看靶蛋白信息： CYP1A1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 活性数据)

点击查看靶蛋白信息： CYP3A4

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HL-60 (67320 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SW480 (6023 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

A549 (127892 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HUVEC (11049 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

QPCT Tchem Glutaminyl-peptide cyclotransferase (1121 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SMMC-7721 (5516 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

EGLN3 Tclin Egl nine homolog 3 (250 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

ERG11 Cytochrome P450 51 (617 活性数据)

点击查看靶蛋白信息： ERG11

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

AOC3 Amine oxidase, copper containing (44 活性数据)

点击查看靶蛋白信息： AOC3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Cyp2b1 Cytochrome P450 2B1 (145 活性数据)

点击查看靶蛋白信息： Cyp2b1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Helicobacter pylori (3113 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Plenodomus lingam (178 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Entamoeba histolytica (2676 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Trypanosoma cruzi (99888 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Giardia intestinalis (1290 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Trichinella spiralis (212 活性数据)

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活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488179938
EC号	200-081-4
分子类型	小分子
IUPAC Name	1H-benzimidazole
INCHI	InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChi Key	HYZJCKYKOHLVJF-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C2C(=C1)NC=N2
Isomeric SMILES	C1=CC=C2C(=C1)NC=N2
WGK Germany	3
RTECS	DD5425000
PubChem CID	5798
分子量	118.14
Beilstein号	109682
Reaxy-Rn	109682

化学和物理性质

溶解性	xylene: soluble 1g in 2g (boiling)(lit.) alcohol: freely soluble(lit.) benzene: insoluble(lit.) cold water: very slightly soluble(lit.) diethyl ether: very slightly soluble(lit.) petroleum ether: insoluble(lit.) water: soluble (hot)(lit.)
密度	1.242
敏感性	对湿度敏感
沸点	＞360°C
熔点	173 °C
分子量	118.140 g/mol
XLogP3	1.300
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	1
可旋转键计数Rotatable Bond Count	0
精确质量Exact Mass	118.053 Da
单同位素质量Monoisotopic Mass	118.053 Da
拓扑极表面积Topological Polar Surface Area	28.700 Å²
重原子数Heavy Atom Count	9
形式电荷Formal Charge	0
复杂度Complexity	103.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	Warning
危险声明	H302: 吞食有害
预防措施声明	P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P330: 漱口 P301+P317: 如果被吞咽：请寻求医疗帮助。
WGK Germany	3
RTECS	DD5425000
Reaxy-Rn	109682
Merck Index	1081
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

SDS英文版

质量标准

Purity(Titration by HClO4)	97.5-102.5（%）
Purity(HPLC)	98-100（%）
Melting point	170-176（℃）
Appearance（B106095)	White to brown solid
Proton NMR spectrum	Conforms to Structure

质量标准

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批号(Lot Number)	证书类型	日期	货号
F2401072	分析证书	24-04-08	B106095
F2401052	分析证书	24-04-08	B106095
F2401058	分析证书	24-04-08	B106095
F2401053	分析证书	24-04-08	B106095
F2401055	分析证书	24-04-08	B106095
F2401060	分析证书	24-04-08	B106095
D2409225	分析证书	24-03-27	B106095
G2431022	分析证书	24-03-27	B106095
A2506013	分析证书	24-03-26	B106095
A2506567	分析证书	24-03-26	B106095
D2420064	分析证书	24-03-20	B106095
D2420063	分析证书	24-03-20	B106095
J2431633	分析证书	24-03-20	B106095
I2214423	分析证书	22-06-13	B106095
I2214424	分析证书	22-06-13	B106095
I2214425	分析证书	22-06-13	B106095
I2214426	分析证书	22-06-13	B106095
I2214427	分析证书	22-06-13	B106095
C2309029	分析证书	22-06-13	B106095
G2307541	分析证书	22-06-13	B106095
K2303074	分析证书	22-06-13	B106095
A2417125	分析证书	22-06-13	B106095
A2417126	分析证书	21-12-09	B106095
B2218291	分析证书	21-12-09	B106095
B2218294	分析证书	21-12-09	B106095
B2218300	分析证书	21-12-09	B106095
B2218302	分析证书	21-12-09	B106095
B2218318	分析证书	21-12-09	B106095
K2308235	分析证书	21-12-09	B106095

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