1-[5-(2-methyl-1H-imidazol-4-yl)-4-phenyl-1H-imidazol-1-yl]-3-phenylpropan-2-ol

• ChemBase ID: 519370
• Molecular Formular: C22H22N4O
• Molecular Mass: 358.43628
• Monoisotopic Mass: 358.17936134
• SMILES: c1(c2nc([nH]c2)C)n(cnc1c1ccccc1)CC(Cc1ccccc1)O
• Canonical SMILES: Cc1[nH]cc(n1)c1n(cnc1c1ccccc1)CC(Cc1ccccc1)O
• InChI: InChI=1S/C22H22N4O/c1-16-23-13-20(25-16)22-21(18-10-6-3-7-11-18)24-15-26(22)14-19(27)12-17-8-4-2-5-9-17/h2-11,13,15,19,27H,12,14H2,1H3,(H,23,25)
• InChIKey: LECJUPLVARUCMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[5-(2-methyl-1H-imidazol-4-yl)-4-phenyl-1H-imidazol-1-yl]-3-phenylpropan-2-ol
• IUPAC Traditional name: 1-[5-(2-methyl-1H-imidazol-4-yl)-4-phenylimidazol-1-yl]-3-phenylpropan-2-ol
• Synonyms: 1-(2-methyl-5'-phenyl-1H,3'H-4,4'-biimidazol-3'-yl)-3-phenylpropan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613716
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.7792447
• LogD (pH = 7.4): 3.4320734
• Log P: 3.4519985
• Molar Refractivity: 106.041 cm^3
• Polarizability: 43.29541 Å^3
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.08
• LOG S: -4.44
• Polar Surface Area: 66.73 Å^2
• Rotatable Bonds: 6