2-({4-[5-(furan-2-yl)-4-phenyl-1H-imidazol-1-yl]piperidin-1-yl}methyl)pyridine

• ChemBase ID: 591959
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: c1(n(cnc1c1ccccc1)C1CCN(CC1)Cc1ncccc1)c1occc1
• Canonical SMILES: c1ccc(nc1)CN1CCC(CC1)n1cnc(c1c1ccco1)c1ccccc1
• InChI: InChI=1S/C24H24N4O/c1-2-7-19(8-3-1)23-24(22-10-6-16-29-22)28(18-26-23)21-11-14-27(15-12-21)17-20-9-4-5-13-25-20/h1-10,13,16,18,21H,11-12,14-15,17H2
• InChIKey: FTSDHGLEEJWQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.013561
• LogD (pH = 7.4): 2.780245
• Log P: 3.3540795
• Molar Refractivity: 113.4629 cm^3
• Polarizability: 46.471577 Å^3
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.32
• LOG S: -2.53
• Polar Surface Area: 47.09 Å^2
• Rotatable Bonds: 5