5-Chlorobenzimidazole - CAS 4887-82-5

Catalog:	BB026608
Product Name:	5-Chlorobenzimidazole
CAS:	4887-82-5
Synonyms:	6-chloro-1H-benzimidazole; 6-chloro-1H-benzimidazole

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-chloro-1H-benzimidazole
Description:	5-Chlorobenzimidazole (CAS# 4887-82-5) is a useful research chemical.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC2=C(C=C1Cl)NC=N2
InChI:	InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChI Key:	NKLOLMQJDLMZRE-UHFFFAOYSA-N
Boiling Point:	393.8 °C at 760 mmHg
Density:	1.425 g/cm³
MDL:	MFCD00059698
LogP:	2.21630

Publication Number	Title	Priority Date
CN-113200526-A	Method for preparing boron nitride nanosheet by stripping method and boron nitride nanosheet	20210604
CN-112552744-A	Water-based polyurethane ink composition and preparation method thereof	20201211
WO-2021203016-A2	Protein-protein interaction stabilizers	20200403
CN-113368253-A	Drug carrier based on zeolite imidazole framework structure and preparation method and application thereof	20200310
KR-20210057520-A	zinc-imidazolate frameworks catalyst, manufacturing method thereof and preparation method for methyl N-aryl carbamate using the same	20191112

PMID	Publication Date	Title	Journal
22047694	20111215	Antiprotozoal activity of proton-pump inhibitors	Bioorganic & medicinal chemistry letters
20642456	20101001	Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors	The Biochemical journal
17074492	20070115	Molecular modeling of some 1H-benzimidazole derivatives with biological activity against Entamoeba histolytica: a comparative molecular field analysis study	Bioorganic & medicinal chemistry
12127542	20020819	Synthesis and antiparasitic activity of 1H-benzimidazole derivatives	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Benzimidazoles

[39513-26-3]
5-Bromo-1,3-dihydrobenzoimidazol-2-one
[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[142356-64-7]
2-Amino-5-chloro-6-fluoro-1H-benzo[d]imidazole
[1378947-22-8]
6-Bromo-2-chloro-1-methyl-1H-benzo[d]imidazole
[63503-83-3]
2-Hydrazino-4-methyl-1H-benzimidazole
3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-propyl-1H-pyrazol-4-yl]-1-benzylpyrrolidine-2,5-dione

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4