7-Amino-1-methyl-1H-benzoimidazole - CAS 21577-25-3

Catalog:	BB016976
Product Name:	7-Amino-1-methyl-1H-benzoimidazole
CAS:	21577-25-3
Synonyms:	3-methyl-4-benzimidazolamine; 3-methylbenzimidazol-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methylbenzimidazol-4-amine
Description:	7-Amino-1-methyl-1H-benzoimidazole (CAS# 21577-25-3) is a useful research chemical.
Molecular Weight:	147.18
Molecular Formula:	C8H9N3
Canonical SMILES:	CN1C=NC2=C1C(=CC=C2)N
InChI:	InChI=1S/C8H9N3/c1-11-5-10-7-4-2-3-6(9)8(7)11/h2-5H,9H2,1H3
InChI Key:	PRFCNMRCNKHJLO-UHFFFAOYSA-N
LogP:	1.73670

Publication Number	Title	Priority Date
WO-2020047208-A1	Inhibitors of (alpha-v)(beta-6) integrin	20180829
US-2021139522-A1	Antimicrobial compounds, compositions, and uses thereof	20170310
EP-3102193-A1	Antibacterial agents: n(alpha)-aroyl-n-aryl-phenylalaninamides	20140206
US-2016347708-A1	Antibacterial agents: n(alpha)-aroyl-n-aryl-phenylalaninamides	20140206
US-9919998-B2	Antibacterial agents: NÎ±-aroyl-N-aryl-phenylalaninamides	20140206

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Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0796473
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.0796473
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8