(1-{2-[5-(5-ethylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol

• ChemBase ID: 496945
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: c1(c2oc(cc2)CC)c(ncn1CCN1CC(CO)CCC1)c1ccccc1
• Canonical SMILES: OCC1CCCN(C1)CCn1cnc(c1c1ccc(o1)CC)c1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-2-20-10-11-21(28-20)23-22(19-8-4-3-5-9-19)24-17-26(23)14-13-25-12-6-7-18(15-25)16-27/h3-5,8-11,17-18,27H,2,6-7,12-16H2,1H3
• InChIKey: JETLAKNJPUGQOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{2-[5-(5-ethylfuran-2-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol
• IUPAC Traditional name: (1-{2-[5-(5-ethylfuran-2-yl)-4-phenylimidazol-1-yl]ethyl}piperidin-3-yl)methanol
• Synonyms: (1-{2-[5-(5-ethyl-2-furyl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-3-yl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.431463
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.004434594
• LogD (pH = 7.4): 1.5531785
• Log P: 3.299946
• Molar Refractivity: 112.2146 cm^3
• Polarizability: 45.649715 Å^3
• Polar Surface Area: 54.43 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: 3.71
• LOG S: -4.13
• Polar Surface Area: 54.43 Å^2
• Rotatable Bonds: 7