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

• ChemBase ID: 798309
• Molecular Formular: C23H20N2O
• Molecular Mass: 340.4177
• Monoisotopic Mass: 340.15756327
• SMILES: [nH]1c(nc(c1c1ccccc1)c1ccccc1)c1c(cccc1)OCC
• Canonical SMILES: CCOc1ccccc1c1nc(c([nH]1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H20N2O/c1-2-26-20-16-10-9-15-19(20)23-24-21(17-11-5-3-6-12-17)22(25-23)18-13-7-4-8-14-18/h3-16H,2H2,1H3,(H,24,25)
• InChIKey: XCCJHWPREGFUJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5496-42-4

CALCULATED PROPERTIES

• Acid pKa: 11.672034
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.6240773
• LogD (pH = 7.4): 5.6782255
• Log P: 5.678985
• Molar Refractivity: 115.1041 cm^3
• Polarizability: 43.934692 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%