ChemSpider 2D Image | 3-(2-Methyl-1H-benzimidazol-1-yl)-N-{1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl}propanamide | C21H23F3N6O

3-(2-Methyl-1H-benzimidazol-1-yl)-N-{1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl}propanamide

  • Molecular FormulaC21H23F3N6O
  • Average mass432.442 Da
  • Monoisotopic mass432.188538 Da
  • ChemSpider ID39183346

More details:

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

1H-Benzimidazole-1-propanamide, 2-methyl-N-[1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl]- [ACD/Index Name]
3-(2-Methyl-1H-benzimidazol-1-yl)-N-{1-[6-(trifluormethyl)-4-pyrimidinyl]-4-piperidinyl}propanamid [German] [ACD/IUPAC Name]
3-(2-Methyl-1H-benzimidazol-1-yl)-N-{1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-piperidinyl}propanamide [ACD/IUPAC Name]
3-(2-Méthyl-1H-benzimidazol-1-yl)-N-{1-[6-(trifluorométhyl)-4-pyrimidinyl]-4-pipéridinyl}propanamide [French] [ACD/IUPAC Name]
2034405-47-3 [RN]
3-(2-methyl-1H-1,3-benzodiazol-1-yl)-N-{1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}propanamide
3-(2-methyl-1H-benzo[d]imidazol-1-yl)-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)propanamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 673.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 73.68
ACD/KOC (pH 5.5): 614.73
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.22
ACD/KOC (pH 7.4): 1253.31
Polar Surface Area: 76 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 307.2±7.0 cm3

Click to predict properties on the Chemicalize site


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