2-(3-Chlorophenyl)imidazole - CAS 27423-81-0

Catalog:	BB019567
Product Name:	2-(3-Chlorophenyl)imidazole
CAS:	27423-81-0
Synonyms:	2-(3-chlorophenyl)-1H-imidazole; 2-(3-chlorophenyl)-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	2-(3-chlorophenyl)-1H-imidazole
Description:	2-(3-Chlorophenyl)imidazole (CAS# 27423-81-0 ) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C9H7ClN2
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C2=NC=CN2
InChI:	InChI=1S/C9H7ClN2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,(H,11,12)
InChI Key:	GDVLOWGEPXGATB-UHFFFAOYSA-N
Boiling Point:	381.2 °C at 760 mmHg
Density:	1.292 g/cm³
LogP:	2.73010

Publication Number	Title	Priority Date
WO-2019067210-A1	COMPOSITIONS AND METHODS FOR TREATMENT OF AR AND / OR LNCRNA MEDIATION DISEASES	20170913
WO-2018213821-A1	Catalysts for the transformation of carbon dioxide and glycerol to formic acid and lactic acid and methods of making the same	20170519
WO-2018140504-A1	Compositions and methods for blocking sodium channels	20170124
EP-3320093-A2	Compositions and methods for identification, assessment prevention, and treatment of cancer using slncr isoforms	20150708
US-2019071668-A1	Compositions and methods for identification, assessment, prevention, and treatment of cancer using slncr isoforms	20150708

PMID	Publication Date	Title	Journal
18851889	20090601	Synthesis, antimicrobial and antiviral evaluation of substituted imidazole derivatives	European journal of medicinal chemistry

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Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.0297759
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.0297759
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5