4-(1-Methyl-5-imidazolyl)benzoic Acid - CAS 305806-38-6

Catalog:	BB020647
Product Name:	4-(1-Methyl-5-imidazolyl)benzoic Acid
CAS:	305806-38-6
Synonyms:	4-(3-methyl-4-imidazolyl)benzoic acid; 4-(3-methylimidazol-4-yl)benzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-(3-methylimidazol-4-yl)benzoic acid
Description:	4-(1-Methyl-5-imidazolyl)benzoic Acid (CAS# 305806-38-6) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C11H10N2O2
Canonical SMILES:	CN1C=NC=C1C2=CC=C(C=C2)C(=O)O
InChI:	InChI=1S/C11H10N2O2/c1-13-7-12-6-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChI Key:	VRUJRMUIEJAVSP-UHFFFAOYSA-N
LogP:	1.78530

Publication Number	Title	Priority Date
EP-2892888-A1	N-cyclopropyl-n-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof	20120910
EP-2892888-B1	N-cyclopropyl-n-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof	20120910
JP-2015527379-A	N-cyclopropyl-N-piperidinyl-amide, pharmaceutical compositions containing them and uses thereof	20120910
JP-6263789-B2	N-cyclopropyl-N-piperidinyl-amide, pharmaceutical compositions containing them and uses thereof	20120910
US-2015225390-A1	N-cyclopropyl-n-piperidinyl-amides, pharmaceutical compositions containing them, and uses thereof	20120910

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Complexity:	237
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	202.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2