CAS 4414-88-4 | (2-Benzimidazolyl)acetonitrile | CAS Number 4414-88-4

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4414-88-4 | (2-Benzimidazolyl)acetonitrile

CAS No: 4414-88-4 Catalog No: AG003F0R MDL No:MFCD00005601

Product Description

Catalog Number:

AG003F0R

Chemical Name:

(2-Benzimidazolyl)acetonitrile

CAS Number:

4414-88-4

Molecular Formula:

C9H7N3

Molecular Weight:

157.1720

MDL Number:

MFCD00005601

IUPAC Name:

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

InChI:

InChI=1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12)

InChI Key:

BWOVACANEIVHST-UHFFFAOYSA-N

SMILES:

N#CCc1nc2c([nH]1)cccc2

EC Number:

224-574-9

UNII:

0AN9A7OY6F

NSC Number:

525203

Properties

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.176g/mol

Monoisotopic Mass:

157.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Reaction of nitrilimines with 2-substituted aza-heterocycles. Synthesis of pyrrolo[1,2-a]pyridine and pyrimido[2,1-d]1,2,3,5- tetrazine.	Molecules (Basel, Switzerland) 20080128
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
Heteroaromatic annulation of 2-methyl/2-cyanomethylbenzimidazole dianions with alpha-oxoketene dithioacetals: a highly regioselective synthetic protocol for 1,2- and 2,3-substituted/annulated pyrido[1,2-a]benzimidazoles.	The Journal of organic chemistry 20030502