CAS 88482-11-5

1-(1-Oxopropyl)-1H-benzimidazole-2-acetonitrile

Description:

1-(1-Oxopropyl)-1H-benzimidazole-2-acetonitrile, with the CAS number 88482-11-5, is a chemical compound that features a benzimidazole core, which is a bicyclic structure containing both benzene and imidazole rings. This compound is characterized by the presence of a propanoyl group and an acetonitrile functional group, contributing to its unique reactivity and potential applications in various fields, including pharmaceuticals and organic synthesis. The presence of the oxo group indicates that it may exhibit ketone-like properties, influencing its reactivity and interactions with other chemical species. Additionally, the acetonitrile moiety suggests that it may participate in nucleophilic reactions or serve as a solvent in certain chemical processes. The compound's structure may also impart specific biological activities, making it of interest for medicinal chemistry research. Overall, its unique combination of functional groups and structural features positions it as a potentially valuable compound in both synthetic and applied chemistry contexts.

Formula: C₁₂H₁₁N₃O

InChI: InChI=1S/C12H11N3O/c1-2-12(16)15-10-6-4-3-5-9(10)14-11(15)7-8-13/h3-6H,2,7H2,1H3

InChI key: InChIKey=NJGCVMDYWDKEIU-UHFFFAOYSA-N

SMILES: C(CC)(=O)N1C=2C(N=C1CC#N)=CC=CC2

Synonyms:

• 1-(1-Oxopropyl)-1H-benzimidazole-2-acetonitrile
• 1H-Benzimidazole-2-acetonitrile, 1-(1-oxopropyl)-
• 2-(1-Propanoyl-1H-1,3-benzodiazol-2-yl)acetonitrile
• 2-(1-Propanoylbenzimidazol-2-yl)acetonitrile