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

• ChemBase ID: 431957
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n1(c(c(nc1)c1ccccc1)C1CC1)Cc1c(c(c(cn1)C)O)C
• Canonical SMILES: Cc1cnc(c(c1O)C)Cn1cnc(c1C1CC1)c1ccccc1
• InChI: InChI=1S/C20H21N3O/c1-13-10-21-17(14(2)20(13)24)11-23-12-22-18(19(23)16-8-9-16)15-6-4-3-5-7-15/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,21,24)
• InChIKey: YHNURCTWAZLZPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.392846
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4976861
• LogD (pH = 7.4): 4.028708
• Log P: 4.046408
• Molar Refractivity: 95.0136 cm^3
• Polarizability: 37.431675 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.61
• LOG S: -3.76
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4