1-(cyclohexyloxy)-3-[4-phenyl-5-(pyridin-3-yl)-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 523869
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: n1(c(c(nc1)c1ccccc1)c1cnccc1)CC(COC1CCCCC1)O
• Canonical SMILES: OC(Cn1cnc(c1c1cccnc1)c1ccccc1)COC1CCCCC1
• InChI: InChI=1S/C23H27N3O2/c27-20(16-28-21-11-5-2-6-12-21)15-26-17-25-22(18-8-3-1-4-9-18)23(26)19-10-7-13-24-14-19/h1,3-4,7-10,13-14,17,20-21,27H,2,5-6,11-12,15-16H2
• InChIKey: AVPAXIQJOMZSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexyloxy)-3-[4-phenyl-5-(pyridin-3-yl)-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: 1-(cyclohexyloxy)-3-[4-phenyl-5-(pyridin-3-yl)imidazol-1-yl]propan-2-ol
• Synonyms: 1-(cyclohexyloxy)-3-(4-phenyl-5-pyridin-3-yl-1H-imidazol-1-yl)propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.998536
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.3806837
• LogD (pH = 7.4): 3.5797563
• Log P: 3.5830417
• Molar Refractivity: 109.5507 cm^3
• Polarizability: 45.282314 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.17
• LOG S: -4.66
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 7