5-Bromo-1-methylbenzimidazole - CAS 53484-15-4

Catalog:	BB028243
Product Name:	5-Bromo-1-methylbenzimidazole
CAS:	53484-15-4
Synonyms:	5-bromo-1-methylbenzimidazole; 5-bromo-1-methylbenzimidazole

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-methylbenzimidazole
Description:	5-Bromo-1-methylbenzimidazole (CAS# 53484-15-4) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CN1C=NC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C8H7BrN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3
InChI Key:	KMJMDIYGNFGEEO-UHFFFAOYSA-N
Density:	1.6 g/cm³
LogP:	2.33580

Publication Number	Title	Priority Date
US-2020131155-A1	SOLID FORMS OF 4-(2-FLUORO-4-(1-METHYL-1H-BENZO[d]IMIDAZOL-5-YL)BENZOYL)PIPERAZIN-1-YL)(1-HYDROXYCYCLOPROPYL)METHANONE	20181029
US-10793554-B2	Solid forms of 4-(2-fluoro-4-(1-methyl-1H-benzo[d]imidazol-5-yl)benzoyl)piperazin-1-yl)(1-hydroxycyclopropyl)methanone	20181029
US-2020392114-A1	SOLID FORMS OF (4-(2-FLUORO-4-(1-METHYL-1H-BENZO[d]IMIDAZOL-5-YL)BENZOYL) PIPERAZINE-1-YL)(1-HYDROXYCYCLOPROPYL)METHANONE	20181029
CN-113382633-A	Solid forms of (4- (2-fluoro-4- (1-methyl-1H-benzo [ d ] imidazol-5-yl) benzoyl) piperazin-1-yl) (1-hydroxycyclopropyl) methanone	20181029
CN-109776522-B	Substituted heteroaryl compounds, compositions and uses thereof	20171030

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.97926
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1