CAS 77335-96-7

3,5,6,7-Tetrahydro-6,6-dimethyl-2-phenyl-4H-benzimidazol-4-one

Description:

3,5,6,7-Tetrahydro-6,6-dimethyl-2-phenyl-4H-benzimidazol-4-one is a chemical compound characterized by its complex bicyclic structure, which includes a benzimidazole core. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and is substituted with two methyl groups at the 6-position and a phenyl group at the 2-position. The presence of these substituents contributes to its unique chemical properties, including potential biological activity. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals or as a building block in organic synthesis. The CAS number 77335-96-7 serves as a unique identifier for this substance, facilitating its identification in chemical databases and literature. As with many organic compounds, its reactivity and stability can be influenced by environmental factors such as pH and temperature, making it important to consider these conditions in practical applications.

Formula: C₁₅H₁₆N₂O

InChI: InChI=1S/C15H16N2O/c1-15(2)8-11-13(12(18)9-15)17-14(16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)

InChI key: InChIKey=WCOSXRWCGAWZNR-UHFFFAOYSA-N

SMILES: O=C1C2=C(NC(=N2)C3=CC=CC=C3)CC(C)(C)C1

Synonyms:

• 4H-Benzimidazol-4-one, 1,5,6,7-tetrahydro-6,6-dimethyl-2-phenyl-
• 2-Phenyl-5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzimidazole
• 3,5,6,7-Tetrahydro-6,6-dimethyl-2-phenyl-4H-benzimidazol-4-one
• 4H-Benzimidazol-4-one, 3,5,6,7-tetrahydro-6,6-dimethyl-2-phenyl-