2-chloro-4,5-diphenyl-1H-imidazole

• ChemBase ID: 124019
• Molecular Formular: C15H11ClN2
• Molecular Mass: 254.71424
• Monoisotopic Mass: 254.06107604
• SMILES: c1(c([nH]c(n1)Cl)c1ccccc1)c1ccccc1
• Canonical SMILES: Clc1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H11ClN2/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H,17,18)
• InChIKey: OFVYWCNMQQRVAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,5-diphenyl-1H-imidazole
• IUPAC Traditional name: 2-chloro-4,5-diphenyl-3H-imidazole
• Synonyms: 2-chloro-4,5-diphenyl-1H-imidazole

Database IDs

• PubChem SID: 162218372
• PubChem CID: 12675130

CALCULATED PROPERTIES

• Acid pKa: 9.961716
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3675485
• LogD (pH = 7.4): 4.368029
• Log P: 4.3690925
• Molar Refractivity: 73.8166 cm^3
• Polarizability: 31.101215 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true