2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole

• ChemBase ID: 798532
• Molecular Formular: C21H15ClN2
• Molecular Mass: 330.8102
• Monoisotopic Mass: 330.09237617
• SMILES: [nH]1c(nc(c1c1ccccc1)c1ccccc1)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1c1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
• InChIKey: NSWNXQGJAPQOID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole
• IUPAC Traditional name: 2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole
• Synonyms: 2-(2-chlorophenyl)-4,5-diphenylimidazole

Database IDs

• CAS Number: 1707-67-1

CALCULATED PROPERTIES

• Acid pKa: 11.730129
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.0207605
• LogD (pH = 7.4): 6.0830164
• Log P: 6.083893
• Molar Refractivity: 108.6971 cm^3
• Polarizability: 41.392517 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%