CAS 70151-42-7 | 1H-Benzimidazole, 5,6-dimethyl-2-(2-pyridinyl)- | CAS Number 70151-42-7

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70151-42-7 | 1H-Benzimidazole, 5,6-dimethyl-2-(2-pyridinyl)-

CAS No: 70151-42-7 Catalog No: AG005L4M MDL No:

Product Description

Catalog Number:

AG005L4M

Chemical Name:

1H-Benzimidazole, 5,6-dimethyl-2-(2-pyridinyl)-

CAS Number:

70151-42-7

Molecular Formula:

C14H13N3

Molecular Weight:

223.2731

IUPAC Name:

5,6-dimethyl-2-pyridin-2-yl-1H-benzimidazole

InChI:

InChI=1S/C14H13N3/c1-9-7-12-13(8-10(9)2)17-14(16-12)11-5-3-4-6-15-11/h3-8H,1-2H3,(H,16,17)

InChI Key:

HXYMSNYVKWYLHV-UHFFFAOYSA-N

SMILES:

Cc1cc2[nH]c(nc2cc1C)c1ccccn1

Properties

Complexity:

268

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.279g/mol

Monoisotopic Mass:

223.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors.	Bioorganic & medicinal chemistry letters 20100715
Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions.	Journal of medicinal chemistry 20060126