5-Bromo-6-methoxybenzimidazole - CAS 1008361-65-6

Catalog:	BB000354
Product Name:	5-Bromo-6-methoxybenzimidazole
CAS:	1008361-65-6
Synonyms:	6-bromo-5-methoxy-1H-benzimidazole; 6-bromo-5-methoxy-1H-benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-5-methoxy-1H-benzimidazole
Description:	5-Bromo-6-methoxybenzimidazole (CAS# 1008361-65-6) is a useful research chemical.
Molecular Weight:	227.06
Molecular Formula:	C8H7BrN2O
Canonical SMILES:	COC1=C(C=C2C(=C1)N=CN2)Br
InChI:	InChI=1S/C8H7BrN2O/c1-12-8-3-7-6(2-5(8)9)10-4-11-7/h2-4H,1H3,(H,10,11)
InChI Key:	BAAJXZAAZDCTGW-UHFFFAOYSA-N
LogP:	2.33400

Publication Number	Title	Priority Date
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2018228275-A1	Heterocyclic compound used as mnk inhibitor	20170612
AU-2012322095-A1	Heterocyclic compounds and use thereof as modulators of type III receptor tyrosine kinases	20111014
DK-2766359-T3	Heterocyclic compounds and their use as modulators of type III receptor tyrosine kinases	20111014
DK-2766359-T5	Heterocyclic compounds and their use as modulators of type III receptor tyrosine kinases	20111014

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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.97418
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.97418
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1