1-(cyclohexyloxy)-3-[5-(furan-3-yl)-4-phenyl-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 576135
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: n1(c(c(nc1)c1ccccc1)c1cocc1)CC(COC1CCCCC1)O
• Canonical SMILES: OC(Cn1cnc(c1c1cocc1)c1ccccc1)COC1CCCCC1
• InChI: InChI=1S/C22H26N2O3/c25-19(15-27-20-9-5-2-6-10-20)13-24-16-23-21(17-7-3-1-4-8-17)22(24)18-11-12-26-14-18/h1,3-4,7-8,11-12,14,16,19-20,25H,2,5-6,9-10,13,15H2
• InChIKey: MDTIUYOHENJXSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexyloxy)-3-[5-(furan-3-yl)-4-phenyl-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: 1-(cyclohexyloxy)-3-[5-(furan-3-yl)-4-phenylimidazol-1-yl]propan-2-ol
• Synonyms: 1-(cyclohexyloxy)-3-[5-(3-furyl)-4-phenyl-1H-imidazol-1-yl]propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.998345
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.7876208
• LogD (pH = 7.4): 3.9385538
• Log P: 3.9409597
• Molar Refractivity: 104.221 cm^3
• Polarizability: 43.013565 Å^3
• Polar Surface Area: 60.42 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: 3.76
• LOG S: -5.08
• Polar Surface Area: 60.42 Å^2
• Rotatable Bonds: 7