Ethyl 1-Methyl-4-benzimidazolecarboxylate - CAS 856840-76-1

Catalog:	BB037681
Product Name:	Ethyl 1-Methyl-4-benzimidazolecarboxylate
CAS:	856840-76-1
Synonyms:	1-methyl-4-benzimidazolecarboxylic acid ethyl ester; ethyl 1-methylbenzimidazole-4-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 1-methylbenzimidazole-4-carboxylate
Description:	Ethyl 1-Methyl-4-benzimidazolecarboxylate (CAS# 856840-76-1 ) is a useful research chemical.
Molecular Weight:	204.23
Molecular Formula:	C11H12N2O2
Canonical SMILES:	CCOC(=O)C1=C2C(=CC=C1)N(C=N2)C
InChI:	InChI=1S/C11H12N2O2/c1-3-15-11(14)8-5-4-6-9-10(8)12-7-13(9)2/h4-7H,3H2,1-2H3
InChI Key:	QBLJTESTCCSTCH-UHFFFAOYSA-N
LogP:	1.75000

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:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.08987763
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.08987763
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7