4-{3-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]propoxy}-1-methylpiperidine

• ChemBase ID: 687366
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: c1(c(ncn1CCCOC1CCN(CC1)C)c1ccccc1)c1occc1
• Canonical SMILES: CN1CCC(CC1)OCCCn1cnc(c1c1ccco1)c1ccccc1
• InChI: InChI=1S/C22H27N3O2/c1-24-13-10-19(11-14-24)26-16-6-12-25-17-23-21(18-7-3-2-4-8-18)22(25)20-9-5-15-27-20/h2-5,7-9,15,17,19H,6,10-14,16H2,1H3
• InChIKey: ZZGGYCJXFPGZOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]propoxy}-1-methylpiperidine
• IUPAC Traditional name: 4-{3-[5-(furan-2-yl)-4-phenylimidazol-1-yl]propoxy}-1-methylpiperidine
• Synonyms: 4-{3-[5-(2-furyl)-4-phenyl-1H-imidazol-1-yl]propoxy}-1-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.46951556
• LogD (pH = 7.4): 1.1749843
• Log P: 2.778791
• Molar Refractivity: 107.4383 cm^3
• Polarizability: 43.96093 Å^3
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.97
• LOG S: -5.1
• Polar Surface Area: 43.43 Å^2
• Rotatable Bonds: 7