CAS 743442-02-6

4-Chloro-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile

Description:

4-Chloro-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile is a chemical compound characterized by its complex structure, which includes a chloro substituent, a benzimidazole moiety, and a nitrile functional group. The presence of the chloro group suggests potential reactivity and influence on the compound's electronic properties. The benzimidazole ring contributes to the compound's stability and may impart biological activity, as benzimidazole derivatives are often associated with various pharmacological effects. The oxopentanenitrile portion indicates the presence of a carbonyl group and a nitrile, which can participate in nucleophilic addition reactions and may enhance the compound's reactivity in organic synthesis. This compound is likely to be of interest in medicinal chemistry and material science due to its unique structural features. Its solubility, melting point, and other physical properties would depend on the specific conditions and solvent used. As with many organic compounds, safety precautions should be taken when handling it, considering potential toxicity and reactivity.

Formula: C₁₂H₁₀ClN₃O

InChI: InChI=1S/C12H10ClN3O/c1-7(13)11(17)8(6-14)12-15-9-4-2-3-5-10(9)16-12/h2-5,7,15-16H,1H3

InChI key: InChIKey=XKLDLVJCIVZXKF-UHFFFAOYSA-N

SMILES: C(C(C(C)Cl)=O)(C#N)=C1NC=2C(N1)=CC=CC2

Synonyms:

• Pentanenitrile, 4-chloro-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxo-
• 4-Chloro-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopentanenitrile