Ethyl 4-Benzimidazolecarboxylate - CAS 167487-83-4

Catalog:	BB012400
Product Name:	Ethyl 4-Benzimidazolecarboxylate
CAS:	167487-83-4
Synonyms:	1H-benzimidazole-4-carboxylic acid ethyl ester; ethyl 1H-benzimidazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1H-benzimidazole-4-carboxylate
Description:	Ethyl 4-Benzimidazolecarboxylate (CAS# 167487-83-4 ) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C10H10N2O2
Canonical SMILES:	CCOC(=O)C1=C2C(=CC=C1)NC=N2
InChI:	InChI=1S/C10H10N2O2/c1-2-14-10(13)7-4-3-5-8-9(7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
InChI Key:	BIROFVBTDWNLKU-UHFFFAOYSA-N
LogP:	1.73960

Publication Number	Title	Priority Date
EP-3262041-A1	Indazolyl thiadiazolamines and related compounds for inhibition of rho-associated protein kinase and the treatment of disease	20150227
JP-2018506571-A	Indazolyl thiadiazolamine and related compounds for the inhibition of RHO-related protein kinases and the treatment of diseases	20150227
US-10112935-B2	Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease	20150227
US-2018093978-A1	Indazolyl thiadiazolamines and related compounds for inhibition of rho-associated protein kinase and the treatment of disease	20150227
WO-2016138335-A1	Indazolyl thiadiazolamines and related compounds for inhibition of rho-associated protein kinase and the treatment of disease	20150227

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Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7