5-(2,6-dimethoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-phenyl-1H-imidazole

• ChemBase ID: 330429
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: c1(n(cnc1c1ccccc1)Cc1n(ccn1)CC)c1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1c1n(cnc1c1ccccc1)Cc1nccn1CC)OC
• InChI: InChI=1S/C23H24N4O2/c1-4-26-14-13-24-20(26)15-27-16-25-22(17-9-6-5-7-10-17)23(27)21-18(28-2)11-8-12-19(21)29-3/h5-14,16H,4,15H2,1-3H3
• InChIKey: KHSRKTHDJXZCNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(2,6-dimethoxyphenyl)-1-[(1-ethylimidazol-2-yl)methyl]-4-phenylimidazole
• Synonyms: 5-(2,6-dimethoxyphenyl)-1-[(1-ethyl-1H-imidazol-2-yl)methyl]-4-phenyl-1H-imidazole

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6909547
• LogD (pH = 7.4): 3.554446
• Log P: 3.623065
• Molar Refractivity: 113.1535 cm^3
• Polarizability: 45.906815 Å^3
• Polar Surface Area: 54.1 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 2.69
• LOG S: -4.33
• Polar Surface Area: 54.1 Å^2