2-(2-bromo-4,5-diphenyl-1H-imidazol-1-yl)ethan-1-ol

• ChemBase ID: 124446
• Molecular Formular: C17H15BrN2O
• Molecular Mass: 343.2178
• Monoisotopic Mass: 342.03677511
• SMILES: n1c(c(n(c1Br)CCO)c1ccccc1)c1ccccc1
• Canonical SMILES: OCCn1c(Br)nc(c1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H15BrN2O/c18-17-19-15(13-7-3-1-4-8-13)16(20(17)11-12-21)14-9-5-2-6-10-14/h1-10,21H,11-12H2
• InChIKey: RYQGPATZUNAAGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromo-4,5-diphenyl-1H-imidazol-1-yl)ethan-1-ol
• IUPAC Traditional name: 2-(2-bromo-4,5-diphenylimidazol-1-yl)ethanol
• Synonyms: 2-(2-bromo-4,5-diphenyl-1H-imidazol-1-yl)ethanol

Database IDs

• PubChem SID: 162218799
• PubChem CID: 12423966

CALCULATED PROPERTIES

• Acid pKa: 15.449628
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0504217
• LogD (pH = 7.4): 4.05269
• Log P: 4.052719
• Molar Refractivity: 87.6045 cm^3
• Polarizability: 36.00415 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true