4-{4-phenyl-5-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-1-yl}-1-propylpiperidine

• ChemBase ID: 470146
• Molecular Formular: C22H29N5
• Molecular Mass: 363.49916
• Monoisotopic Mass: 363.24229595
• SMILES: c1(n(cnc1c1ccccc1)C1CCN(CC1)CCC)CCn1nccc1
• Canonical SMILES: CCCN1CCC(CC1)n1cnc(c1CCn1cccn1)c1ccccc1
• InChI: InChI=1S/C22H29N5/c1-2-13-25-15-9-20(10-16-25)27-18-23-22(19-7-4-3-5-8-19)21(27)11-17-26-14-6-12-24-26/h3-8,12,14,18,20H,2,9-11,13,15-17H2,1H3
• InChIKey: NZTFZDVYSHPLFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{4-phenyl-5-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-1-yl}-1-propylpiperidine
• IUPAC Traditional name: 4-{4-phenyl-5-[2-(pyrazol-1-yl)ethyl]imidazol-1-yl}-1-propylpiperidine
• Synonyms: 4-{4-phenyl-5-[2-(1H-pyrazol-1-yl)ethyl]-1H-imidazol-1-yl}-1-propylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6350519
• LogD (pH = 7.4): 0.92458594
• Log P: 3.1499581
• Molar Refractivity: 121.6563 cm^3
• Polarizability: 43.518387 Å^3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.88
• LOG S: -3.3
• Polar Surface Area: 38.88 Å^2
• Rotatable Bonds: 7