2-(Chloromethyl)-1-phenyl-1H-benzimidazole - CAS 94937-86-7

Catalog:	BB041585
Product Name:	2-(Chloromethyl)-1-phenyl-1H-benzimidazole
CAS:	94937-86-7
Synonyms:	2-(chloromethyl)-1-phenylbenzimidazole; 2-(chloromethyl)-1-phenylbenzimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-(chloromethyl)-1-phenylbenzimidazole
Description:	2-(Chloromethyl)-1-phenyl-1H-benzimidazole (CAS# 94937-86-7) is a useful research chemical.
Molecular Weight:	242.70
Molecular Formula:	C14H11ClN2
Canonical SMILES:	C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CCl
InChI:	InChI=1S/C14H11ClN2/c15-10-14-16-12-8-4-5-9-13(12)17(14)11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:	TYOBCMJTBPLYGR-UHFFFAOYSA-N
Boiling Point:	408.9 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	3.76430

Publication Number	Title	Priority Date
CN-103476767-B	Heterocyclic compounds as PI3 kinase inhibitors	20110209
EP-2673269-A1	Heterocyclic compounds as pi3 kinase inhibitors	20110209
JP-2014508145-A	Heterocyclic compounds as PI3 kinase inhibitors	20110209
JP-5766820-B2	Heterocyclic compounds as PI3 kinase inhibitors	20110209
KR-20130116358-A	Heterocyclic Compounds as PI3 Kinase Inhibitors	20110209

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.0610761
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.0610761
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5