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

• ChemBase ID: 121783
• Molecular Formular: C15H11BrN2
• Molecular Mass: 299.16524
• Monoisotopic Mass: 298.01056036
• SMILES: c1(c([nH]c(n1)Br)c1ccccc1)c1ccccc1
• Canonical SMILES: Brc1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H11BrN2/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: GOBONAXSLJKEDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162216136
• PubChem CID: 911229

CALCULATED PROPERTIES

• Acid pKa: 10.529847
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.5157084
• LogD (pH = 7.4): 4.5188193
• Log P: 4.519145
• Molar Refractivity: 76.4155 cm^3
• Polarizability: 31.78626 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true