Name: Name:1-(4-Chlorophenylmethyl)-2-aminobenzimidazole
Brand: Angene
SKU: AG009LYR
Rating: 90 (10 reviews)

1-(4-Chlorophenylmethyl)-2-aminobenzimidazole

CAS No.:

109635-38-3

Catalog Number:

AG009LYR

Molecular Formula:

C14H12ClN3

Molecular Weight:

257.7182

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Product Description

Catalog Number:

AG009LYR

Chemical Name:

1-(4-Chlorophenylmethyl)-2-aminobenzimidazole

CAS Number:

109635-38-3

Molecular Formula:

C14H12ClN3

Molecular Weight:

257.7182

MDL Number:

MFCD00667028

IUPAC Name:

1-[(4-chlorophenyl)methyl]benzimidazol-2-amine

InChI:

InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)

InChI Key:

HKBJSDNECZUKSR-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)Cn1c(N)nc2c1cccc2

Properties

Complexity:

278

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.721g/mol

Monoisotopic Mass:

257.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching.	Journal of medicinal chemistry 20120112
Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation.	ACS medicinal chemistry letters 20111013
Discovery, characterization, and structure-activity relationships of an inhibitor of inward rectifier potassium (Kir) channels with preference for Kir2.3, Kir3.x, and Kir7.1.	Frontiers in pharmacology 20110101

Properties