1-{2-[2-(1-phenylethyl)-1H-imidazol-1-yl]ethyl}cyclopentan-1-ol

• ChemBase ID: 699746
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: c1(n(ccn1)CCC1(O)CCCC1)C(c1ccccc1)C
• Canonical SMILES: CC(c1nccn1CCC1(O)CCCC1)c1ccccc1
• InChI: InChI=1S/C18H24N2O/c1-15(16-7-3-2-4-8-16)17-19-12-14-20(17)13-11-18(21)9-5-6-10-18/h2-4,7-8,12,14-15,21H,5-6,9-11,13H2,1H3
• InChIKey: MVINWGRTTXIMLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(1-phenylethyl)-1H-imidazol-1-yl]ethyl}cyclopentan-1-ol
• IUPAC Traditional name: 1-{2-[2-(1-phenylethyl)imidazol-1-yl]ethyl}cyclopentan-1-ol
• Synonyms: 1-{2-[2-(1-phenylethyl)-1H-imidazol-1-yl]ethyl}cyclopentanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.731443
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3412526
• LogD (pH = 7.4): 3.1426241
• Log P: 3.227171
• Molar Refractivity: 85.1071 cm^3
• Polarizability: 33.04882 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.85
• LOG S: -3.71
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 5