[5-(1-cyclopentyl-1H-imidazol-2-yl)-2-ethoxyphenyl]methanol

• ChemBase ID: 515979
• Molecular Formular: C17H22N2O2
• Molecular Mass: 286.36878
• Monoisotopic Mass: 286.16812795
• SMILES: c1(n(ccn1)C1CCCC1)c1cc(c(cc1)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1CO)c1nccn1C1CCCC1
• InChI: InChI=1S/C17H22N2O2/c1-2-21-16-8-7-13(11-14(16)12-20)17-18-9-10-19(17)15-5-3-4-6-15/h7-11,15,20H,2-6,12H2,1H3
• InChIKey: HNKJVGCXPGWPCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(1-cyclopentyl-1H-imidazol-2-yl)-2-ethoxyphenyl]methanol
• IUPAC Traditional name: [5-(1-cyclopentylimidazol-2-yl)-2-ethoxyphenyl]methanol
• Synonyms: [5-(1-cyclopentyl-1H-imidazol-2-yl)-2-ethoxyphenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.57212
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.279375
• LogD (pH = 7.4): 2.8669615
• Log P: 2.889711
• Molar Refractivity: 93.452 cm^3
• Polarizability: 32.61907 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.51
• LOG S: -3.43
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 5