2-(4-Chlorobenzyl)benzimidazole - CAS 5468-66-6

Catalog:	BB028771
Product Name:	2-(4-Chlorobenzyl)benzimidazole
CAS:	5468-66-6
Synonyms:	2-[(4-chlorophenyl)methyl]-1H-benzimidazole; 2-[(4-chlorophenyl)methyl]-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-[(4-chlorophenyl)methyl]-1H-benzimidazole
Description:	2-(4-Chlorobenzyl)benzimidazole (CAS# 5468-66-6) is a useful research chemical.
Molecular Weight:	242.70
Molecular Formula:	C14H11ClN2
Canonical SMILES:	C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)Cl
InChI:	InChI=1S/C14H11ClN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChI Key:	COGUOPIIFAMLES-UHFFFAOYSA-N
Boiling Point:	479.7 °C at 760 mmHg
Density:	1.301 g/cm³
Appearance:	White to off-white crystalline powder
MDL:	MFCD02093922
LogP:	3.80710

Publication Number	Title	Priority Date
CN-113512038-A	Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof	20210720
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CN-109735838-B	Selective organic weldable protective agent for copper surface	20190314

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Complexity:	251
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.0610761
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9