5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-phenyl-1H-imidazole

• ChemBase ID: 498024
• Molecular Formular: C19H24N4
• Molecular Mass: 308.42066
• Monoisotopic Mass: 308.20009679
• SMILES: c1(c2n(cnc2c2ccccc2)CC(C)C)c(n(nc1)CC)C
• Canonical SMILES: CCn1ncc(c1C)c1n(cnc1c1ccccc1)CC(C)C
• InChI: InChI=1S/C19H24N4/c1-5-23-15(4)17(11-21-23)19-18(16-9-7-6-8-10-16)20-13-22(19)12-14(2)3/h6-11,13-14H,5,12H2,1-4H3
• InChIKey: ZUUMHIQKQSWQIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)-4-phenyl-1H-imidazole
• IUPAC Traditional name: 5-(1-ethyl-5-methylpyrazol-4-yl)-1-(2-methylpropyl)-4-phenylimidazole
• Synonyms: 1-ethyl-4-(1-isobutyl-4-phenyl-1H-imidazol-5-yl)-5-methyl-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7672005
• LogD (pH = 7.4): 3.9051328
• Log P: 3.9072866
• Molar Refractivity: 106.2333 cm^3
• Polarizability: 38.620777 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.83
• LOG S: -4.72
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5