1-{2-[2-(2,3,6-trifluorophenyl)-1H-imidazol-1-yl]ethyl}cyclopentan-1-ol

• ChemBase ID: 475238
• Molecular Formular: C16H17F3N2O
• Molecular Mass: 310.3141896
• Monoisotopic Mass: 310.12929783
• SMILES: c1(c2c(c(ccc2F)F)F)n(ccn1)CCC1(O)CCCC1
• Canonical SMILES: Fc1ccc(c(c1c1nccn1CCC1(O)CCCC1)F)F
• InChI: InChI=1S/C16H17F3N2O/c17-11-3-4-12(18)14(19)13(11)15-20-8-10-21(15)9-7-16(22)5-1-2-6-16/h3-4,8,10,22H,1-2,5-7,9H2
• InChIKey: GRKVUNSEPJJNDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[2-(2,3,6-trifluorophenyl)-1H-imidazol-1-yl]ethyl}cyclopentan-1-ol
• IUPAC Traditional name: 1-{2-[2-(2,3,6-trifluorophenyl)imidazol-1-yl]ethyl}cyclopentan-1-ol
• Synonyms: 1-{2-[2-(2,3,6-trifluorophenyl)-1H-imidazol-1-yl]ethyl}cyclopentanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.731428
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.98387
• LogD (pH = 7.4): 3.1763842
• Log P: 3.1796563
• Molar Refractivity: 87.1208 cm^3
• Polarizability: 29.21177 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.89
• LOG S: -3.08
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4