5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-4-phenyl-1-(pyrrolidin-3-yl)-1H-imidazole

• ChemBase ID: 314934
• Molecular Formular: C23H23N5
• Molecular Mass: 369.46222
• Monoisotopic Mass: 369.19534576
• SMILES: c1(c2n(cnc2c2ccccc2)C2CCNC2)c(n(nc1)c1ccccc1)C
• Canonical SMILES: Cc1n(ncc1c1n(cnc1c1ccccc1)C1CCNC1)c1ccccc1
• InChI: InChI=1S/C23H23N5/c1-17-21(15-26-28(17)19-10-6-3-7-11-19)23-22(18-8-4-2-5-9-18)25-16-27(23)20-12-13-24-14-20/h2-11,15-16,20,24H,12-14H2,1H3
• InChIKey: DUQRMVUMIKBJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-4-phenyl-1-(pyrrolidin-3-yl)-1H-imidazole
• IUPAC Traditional name: 5-(5-methyl-1-phenylpyrazol-4-yl)-4-phenyl-1-(pyrrolidin-3-yl)imidazole
• Synonyms: 5-methyl-1-phenyl-4-(4-phenyl-1-pyrrolidin-3-yl-1H-imidazol-5-yl)-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.22665514
• LogD (pH = 7.4): 0.51399195
• Log P: 3.5479324
• Molar Refractivity: 112.4898 cm^3
• Polarizability: 46.141586 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.27
• LOG S: -3.68
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 4