5-(1-ethyl-1H-imidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-4-phenyl-1H-imidazole

• ChemBase ID: 339089
• Molecular Formular: C22H22N4O
• Molecular Mass: 358.43628
• Monoisotopic Mass: 358.17936134
• SMILES: c1(n(cnc1c1ccccc1)Cc1c(OC)cccc1)c1n(ccn1)CC
• Canonical SMILES: COc1ccccc1Cn1cnc(c1c1nccn1CC)c1ccccc1
• InChI: InChI=1S/C22H22N4O/c1-3-25-14-13-23-22(25)21-20(17-9-5-4-6-10-17)24-16-26(21)15-18-11-7-8-12-19(18)27-2/h4-14,16H,3,15H2,1-2H3
• InChIKey: KKESMXGJAKSXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-ethyl-1H-imidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(1-ethylimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-4-phenylimidazole
• Synonyms: 1-ethyl-3'-(2-methoxybenzyl)-5'-phenyl-1H,3'H-2,4'-biimidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7824671
• LogD (pH = 7.4): 4.0794024
• Log P: 4.085115
• Molar Refractivity: 117.3287 cm^3
• Polarizability: 42.719185 Å^3
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.92
• LOG S: -5.16
• Polar Surface Area: 44.87 Å^2
• Rotatable Bonds: 6