4-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-methylpiperidine

• ChemBase ID: 705351
• Molecular Formular: C23H23N3O
• Molecular Mass: 357.44822
• Monoisotopic Mass: 357.18411237
• SMILES: c1(c2oc3c(c2)cccc3)n(cnc1c1ccccc1)C1CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)n1cnc(c1c1cc2c(o1)cccc2)c1ccccc1
• InChI: InChI=1S/C23H23N3O/c1-25-13-11-19(12-14-25)26-16-24-22(17-7-3-2-4-8-17)23(26)21-15-18-9-5-6-10-20(18)27-21/h2-10,15-16,19H,11-14H2,1H3
• InChIKey: CVOUKXVOTFENBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-methylpiperidine
• IUPAC Traditional name: 4-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]-1-methylpiperidine
• Synonyms: 4-[5-(1-benzofuran-2-yl)-4-phenyl-1H-imidazol-1-yl]-1-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.44319624
• LogD (pH = 7.4): 1.918536
• Log P: 3.7846847
• Molar Refractivity: 107.8571 cm^3
• Polarizability: 45.408283 Å^3
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.41
• LOG S: -4.57
• Polar Surface Area: 34.2 Å^2
• Rotatable Bonds: 3