ChemSpider 2D Image | N-{3-[(1-{6-[(1-Hydroxy-3-methyl-2-butanyl)amino]-4-pyrimidinyl}-1H-benzimidazol-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide | C31H30F3N7O2

N-{3-[(1-{6-[(1-Hydroxy-3-methyl-2-butanyl)amino]-4-pyrimidinyl}-1H-benzimidazol-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide

  • Molecular FormulaC31H30F3N7O2
  • Average mass589.611 Da
  • Monoisotopic mass589.241333 Da
  • ChemSpider ID13092049

More details:

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

Benzamide, N-[3-[[1-[6-[[1-(hydroxymethyl)-2-methylpropyl]amino]-4-pyrimidinyl]-1H-benzimidazol-2-yl]amino]-4-methylphenyl]-3-(trifluoromethyl)- [ACD/Index Name]
N-{3-[(1-{6-[(1-Hydroxy-3-methyl-2-butanyl)amino]-4-pyrimidinyl}-1H-benzimidazol-2-yl)amino]-4-methylphenyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-{3-[(1-{6-[(1-Hydroxy-3-methyl-2-butanyl)amino]-4-pyrimidinyl}-1H-benzimidazol-2-yl)amino]-4-methylphenyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-{3-[(1-{6-[(1-Hydroxy-3-méthyl-2-butanyl)amino]-4-pyrimidinyl}-1H-benzimidazol-2-yl)amino]-4-méthylphényl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC 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: 1.641
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15571.87
ACD/KOC (pH 5.5): 34364.64
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16383.46
ACD/KOC (pH 7.4): 36155.68
Polar Surface Area: 117 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

Click to predict properties on the Chemicalize site


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