5-Bromo-2-methylbenzimidazole - CAS 1964-77-8

Catalog:	BB015195
Product Name:	5-Bromo-2-methylbenzimidazole
CAS:	1964-77-8
Synonyms:	6-bromo-2-methyl-1H-benzimidazole; 6-bromo-2-methyl-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-2-methyl-1H-benzimidazole
Description:	5-Bromo-2-methylbenzimidazole (CAS# 1964-77-8) is a useful research chemical.
Molecular Weight:	211.06
Molecular Formula:	C8H7BrN2
Canonical SMILES:	CC1=NC2=C(N1)C=C(C=C2)Br
InChI:	InChI=1S/C8H7BrN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChI Key:	FHDFUQGJYYGLHJ-UHFFFAOYSA-N
Boiling Point:	397.3 °C at 760 mmHg
Density:	1.654 g/cm³
LogP:	2.63380

Publication Number	Title	Priority Date
WO-2018130227-A1	Aromatic ring-containing compound, preparation method therefor, pharmaceutical composition, and use	20170116
US-2017247393-A1	Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors	20151020
EP-3271333-A1	Usp7 inhibitor compounds and methods of use	20150320
JP-2018508563-A	USP7 inhibitor compounds and methods of use	20150320
US-2016272588-A1	Usp7 inhibitor compounds and methods of use	20150320

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.97926
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8