1-{[2-(5-ethylpyridin-2-yl)-1H-imidazol-1-yl]methyl}cyclohexan-1-ol

• ChemBase ID: 755903
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: n1(c(ncc1)c1ncc(cc1)CC)CC1(O)CCCCC1
• Canonical SMILES: CCc1ccc(nc1)c1nccn1CC1(O)CCCCC1
• InChI: InChI=1S/C17H23N3O/c1-2-14-6-7-15(19-12-14)16-18-10-11-20(16)13-17(21)8-4-3-5-9-17/h6-7,10-12,21H,2-5,8-9,13H2,1H3
• InChIKey: KEPUUIQXJQCQMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(5-ethylpyridin-2-yl)-1H-imidazol-1-yl]methyl}cyclohexan-1-ol
• IUPAC Traditional name: 1-{[2-(5-ethylpyridin-2-yl)imidazol-1-yl]methyl}cyclohexan-1-ol
• Synonyms: 1-{[2-(5-ethylpyridin-2-yl)-1H-imidazol-1-yl]methyl}cyclohexanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.330524
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.260212
• LogD (pH = 7.4): 3.2623005
• Log P: 3.2623272
• Molar Refractivity: 93.3205 cm^3
• Polarizability: 32.829266 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: 2.48
• LOG S: -3.4
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 4