CAS 939-70-8 | 1-(1H-Benzo[d]imidazol-2-yl)ethanone | CAS Number 939-70-8

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939-70-8 | 1-(1H-Benzo[d]imidazol-2-yl)ethanone

CAS No: 939-70-8 Catalog No: AG003GBC MDL No:MFCD00159994

Product Description

Catalog Number:

AG003GBC

Chemical Name:

1-(1H-Benzo[d]imidazol-2-yl)ethanone

CAS Number:

939-70-8

Molecular Formula:

C9H8N2O

Molecular Weight:

160.1726

MDL Number:

MFCD00159994

IUPAC Name:

1-(1H-benzimidazol-2-yl)ethanone

InChI:

InChI=1S/C9H8N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-5H,1H3,(H,10,11)

InChI Key:

UYFMRVDIXXOWLR-UHFFFAOYSA-N

SMILES:

CC(=O)c1nc2c([nH]1)cccc2

Properties

Complexity:

193

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.176g/mol

Monoisotopic Mass:

160.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Ethyl 2,4-dimethyl-pyrido[1,2-a]benz-imidazole-3-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20121001
Synthesis and study of some new 1,3-isoindoledione derivatives as potential antibacterial agents.	European journal of medicinal chemistry 20100401
Synthesis of novel benzofuran and related benzimidazole derivatives for evaluation of in vitro anti-HIV-1, anticancer and antimicrobial activities.	Archives of pharmacal research 20061001