4-{5-[(benzyloxy)methyl]-4-phenyl-1H-imidazol-1-yl}piperidine

• ChemBase ID: 652574
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: c1(n(cnc1c1ccccc1)C1CCNCC1)COCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COCc1n(cnc1c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C22H25N3O/c1-3-7-18(8-4-1)15-26-16-21-22(19-9-5-2-6-10-19)24-17-25(21)20-11-13-23-14-12-20/h1-10,17,20,23H,11-16H2
• InChIKey: YSEJZZWJYMSASQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[(benzyloxy)methyl]-4-phenyl-1H-imidazol-1-yl}piperidine
• IUPAC Traditional name: 4-{5-[(benzyloxy)methyl]-4-phenylimidazol-1-yl}piperidine
• Synonyms: 4-{5-[(benzyloxy)methyl]-4-phenyl-1H-imidazol-1-yl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.12644364
• LogD (pH = 7.4): 0.66028947
• Log P: 3.2755368
• Molar Refractivity: 104.8873 cm^3
• Polarizability: 42.057053 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.55
• LOG S: -2.91
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 6