CAS 98298-50-1

4-(1-Methyl-1H-imidazol-2-yl)benzonitrile

Description:

4-(1-Methyl-1H-imidazol-2-yl)benzonitrile, with the CAS number 98298-50-1, is an organic compound characterized by its structure, which features a benzonitrile moiety substituted with a 1-methyl-1H-imidazole group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential solubility in polar organic solvents and moderate stability under standard conditions. The presence of the nitrile functional group (-C≡N) suggests that it may participate in nucleophilic reactions, while the imidazole ring can engage in hydrogen bonding and coordination with metal ions, making it of interest in various chemical and biological applications. Additionally, the compound may exhibit biological activity, potentially serving as a scaffold for drug development or as a ligand in coordination chemistry. Its specific reactivity and interactions would depend on the surrounding environment and the presence of other functional groups. Overall, 4-(1-Methyl-1H-imidazol-2-yl)benzonitrile is a versatile compound with potential applications in pharmaceuticals and materials science.

Formula: C₁₁H₉N₃

InChI: InChI=1S/C11H9N3/c1-14-7-6-13-11(14)10-4-2-9(8-12)3-5-10/h2-7H,1H3

InChI key: InChIKey=NWQQYIRXKQLCTM-UHFFFAOYSA-N

SMILES: CN1C(C2=CC=C(C#N)C=C2)=NC=C1

Synonyms:

• 4-(1-Methylimidazole-2-yl)benzonitrile
• Benzonitrile, 4-(1-methyl-1H-imidazol-2-yl)-
• 4-(1-Methyl-1H-imidazol-2-yl)benzonitrile