ChemSpider 2D Image | 4-{4-[(4-Cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid | C25H17N5O4

4-{4-[(4-Cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid

  • Molecular FormulaC25H17N5O4
  • Average mass451.434 Da
  • Monoisotopic mass451.128052 Da
  • ChemSpider ID24808451

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-{4-[(4-Cyan-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylen]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-{4-[(4-Cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-{4-[(4-cyano-1-hydroxy-3-méthylpyrido[1,2-a]benzimidazol-2-yl)méthylène]-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[4-[(4-cyano-1-hydroxy-3-methylpyrido[1,2-a]benzimidazol-2-yl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]- [ACD/Index Name]
Kinome_3247

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.741
Molar Refractivity: 124.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 63.8±7.0 dyne/cm
Molar Volume: 307.2±7.0 cm3

Click to predict properties on the Chemicalize site


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