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

• ChemBase ID: 798546
• Molecular Formular: C22H18N2O
• Molecular Mass: 326.39112
• Monoisotopic Mass: 326.14191321
• SMILES: [nH]1c(nc(c1c1ccccc1)c1ccccc1)c1c(cccc1)OC
• Canonical SMILES: COc1ccccc1c1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H18N2O/c1-25-19-15-9-8-14-18(19)22-23-20(16-10-4-2-5-11-16)21(24-22)17-12-6-3-7-13-17/h2-15H,1H3,(H,23,24)
• InChIKey: XIOGJAPOAUEYJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1965-19-1

CALCULATED PROPERTIES

• Acid pKa: 11.673742
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.267157
• LogD (pH = 7.4): 5.321416
• Log P: 5.322177
• Molar Refractivity: 110.3555 cm^3
• Polarizability: 42.089306 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%