Methyl 3-(1-Imidazolyl)benzoate - CAS 335255-85-1

Catalog:	BB021755
Product Name:	Methyl 3-(1-Imidazolyl)benzoate
CAS:	335255-85-1
Synonyms:	3-(1-imidazolyl)benzoic acid methyl ester; methyl 3-imidazol-1-ylbenzoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-imidazol-1-ylbenzoate
Description:	Methyl 3-(1-Imidazolyl)benzoate (CAS# 335255-85-1 ) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C11H10N2O2
Canonical SMILES:	COC(=O)C1=CC(=CC=C1)N2C=CN=C2
InChI:	InChI=1S/C11H10N2O2/c1-15-11(14)9-3-2-4-10(7-9)13-6-5-12-8-13/h2-8H,1H3
InChI Key:	CWINGXPWIXWOBS-UHFFFAOYSA-N
LogP:	1.65890

Publication Number	Title	Priority Date
EP-3394049-A1	Cyanopyrrolidine derivatives as inhibitors for dubs	20151223
US-10590075-B2	Cyanopyrrolidine derivatives as inhibitors for DUBs	20151223
US-2018362460-A1	Cyanopyrrolidine derivatives as inhibitors for dubs	20151223
WO-2017109488-A1	Cyanopyrrolidine dervivatives as inhibitors for dubs	20151223
EP-3394049-B1	Cyanopyrrolidine dervivatives as inhbitors for dubs	20151223

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Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.074227566
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5