3-(3-{5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}propyl)pyridine

• ChemBase ID: 605406
• Molecular Formular: C24H27N5
• Molecular Mass: 385.50468
• Monoisotopic Mass: 385.22664589
• SMILES: n1c(c(n(c1)CCCc1cnccc1)CCn1nc(cc1C)C)c1ccccc1
• Canonical SMILES: Cc1nn(c(c1)C)CCc1n(CCCc2cccnc2)cnc1c1ccccc1
• InChI: InChI=1S/C24H27N5/c1-19-16-20(2)29(27-19)15-12-23-24(22-10-4-3-5-11-22)26-18-28(23)14-7-9-21-8-6-13-25-17-21/h3-6,8,10-11,13,16-18H,7,9,12,14-15H2,1-2H3
• InChIKey: SRPZJIITILUOOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-{5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}propyl)pyridine
• IUPAC Traditional name: 3-(3-{5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-phenylimidazol-1-yl}propyl)pyridine
• Synonyms: 3-(3-{5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-1-yl}propyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9865608
• LogD (pH = 7.4): 3.7916143
• Log P: 3.8147836
• Molar Refractivity: 128.4855 cm^3
• Polarizability: 45.65544 Å^3
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.68
• LOG S: -4.71
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 8