3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine

• ChemBase ID: 589692
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: c1(C2CN(C(=O)c3cc(c4oc(cc4)C)ccc3)CCC2)n(ccn1)CCOC
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cccc(c1)c1ccc(o1)C
• InChI: InChI=1S/C23H27N3O3/c1-17-8-9-21(29-17)18-5-3-6-19(15-18)23(27)26-11-4-7-20(16-26)22-24-10-12-25(22)13-14-28-2/h3,5-6,8-10,12,15,20H,4,7,11,13-14,16H2,1-2H3
• InChIKey: UGEAOYMFFOXUKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine
• IUPAC Traditional name: 3-[1-(2-methoxyethyl)imidazol-2-yl]-1-[3-(5-methylfuran-2-yl)benzoyl]piperidine
• Synonyms: 3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-[3-(5-methyl-2-furyl)benzoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.126574
• LogD (pH = 7.4): 2.7573557
• Log P: 2.7851765
• Molar Refractivity: 112.5845 cm^3
• Polarizability: 43.76002 Å^3
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.16
• LOG S: -3.91
• Polar Surface Area: 60.5 Å^2
• Rotatable Bonds: 6