3-{4-phenyl-1-[1-(1H-pyrazol-1-yl)propan-2-yl]-1H-imidazol-5-yl}quinoline

• ChemBase ID: 570200
• Molecular Formular: C24H21N5
• Molecular Mass: 379.45704
• Monoisotopic Mass: 379.1796957
• SMILES: c1(n(cnc1c1ccccc1)C(Cn1nccc1)C)c1cc2c(nc1)cccc2
• Canonical SMILES: CC(n1cnc(c1c1cnc2c(c1)cccc2)c1ccccc1)Cn1cccn1
• InChI: InChI=1S/C24H21N5/c1-18(16-28-13-7-12-27-28)29-17-26-23(19-8-3-2-4-9-19)24(29)21-14-20-10-5-6-11-22(20)25-15-21/h2-15,17-18H,16H2,1H3
• InChIKey: JBIQQAGBUOHVEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{4-phenyl-1-[1-(1H-pyrazol-1-yl)propan-2-yl]-1H-imidazol-5-yl}quinoline
• IUPAC Traditional name: 3-{5-phenyl-3-[1-(pyrazol-1-yl)propan-2-yl]imidazol-4-yl}quinoline
• Synonyms: 3-{1-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2989635
• LogD (pH = 7.4): 4.4795814
• Log P: 4.4825644
• Molar Refractivity: 125.0199 cm^3
• Polarizability: 47.63363 Å^3
• Polar Surface Area: 48.53 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: 3.85
• LOG S: -5.25
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5