2-(1-Aminoethyl)-5-chlorobenzimidazole - CAS 185949-58-0

Catalog:	BB014255
Product Name:	2-(1-Aminoethyl)-5-chlorobenzimidazole
CAS:	185949-58-0
Synonyms:	1-(6-chloro-1H-benzimidazol-2-yl)ethanamine; 1-(6-chloro-1H-benzimidazol-2-yl)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(6-chloro-1H-benzimidazol-2-yl)ethanamine
Description:	2-(1-Aminoethyl)-5-chlorobenzimidazole (CAS# 185949-58-0 ) is a useful research chemical.
Molecular Weight:	195.65
Molecular Formula:	C9H10ClN3
Canonical SMILES:	CC(C1=NC2=C(N1)C=C(C=C2)Cl)N
InChI:	InChI=1S/C9H10ClN3/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9/h2-5H,11H2,1H3,(H,12,13)
InChI Key:	CJBPHHBATSLCHJ-UHFFFAOYSA-N
LogP:	2.93630

Publication Number	Title	Priority Date
US-2011077236-A1	New carboxylic acid amides, the preparation thereof and their use as medicaments	20040228
US-2013237522-A1	Carboxylic acid amides, the preparation thereof and their use as medicaments	20040228
US-8445525-B2	Carboxylic acid amides, the preparation thereof and their use as medicaments	20040228
US-8791103-B2	Carboxylic acid amides, the preparation thereof and their use as medicaments	20040228
EP-1583757-A1	Novel substituted nitrogen-containing heterobicycles and use thereof as factor xa inhibitors	20021223

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.056325
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.056325
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8