1-{2-[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidine

• ChemBase ID: 485846
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: n1c(c(n(c1)CCN1CCCCC1)C1COCC1)c1ccccc1
• Canonical SMILES: C1CCN(CC1)CCn1cnc(c1C1COCC1)c1ccccc1
• InChI: InChI=1S/C20H27N3O/c1-3-7-17(8-4-1)19-20(18-9-14-24-15-18)23(16-21-19)13-12-22-10-5-2-6-11-22/h1,3-4,7-8,16,18H,2,5-6,9-15H2
• InChIKey: PUXSGGVVQFGBIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidine
• IUPAC Traditional name: 1-{2-[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]ethyl}piperidine
• Synonyms: 1-{2-[4-phenyl-5-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]ethyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7076834
• LogD (pH = 7.4): 1.0521455
• Log P: 2.8420665
• Molar Refractivity: 97.8296 cm^3
• Polarizability: 38.991577 Å^3
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.53
• LOG S: -2.73
• Polar Surface Area: 30.29 Å^2
• Rotatable Bonds: 5