ChemSpider 2D Image | 4-(4-Methyl-1H-imidazol-1-yl)-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-3-(trifluoromethyl)benzamide | C28H22F3N7O

4-(4-Methyl-1H-imidazol-1-yl)-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-3-(trifluoromethyl)benzamide

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID9931443

More details:

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

4-(4-Methyl-1H-imidazol-1-yl)-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
4-(4-Methyl-1H-imidazol-1-yl)-N-(4-methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phenyl)-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
4-(4-Méthyl-1H-imidazol-1-yl)-N-(4-méthyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}phényl)-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(4-methyl-1H-imidazol-1-yl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-3-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2232.48
ACD/KOC (pH 5.5): 7868.95
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3139.90
ACD/KOC (pH 7.4): 11067.37
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


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