ChemSpider 2D Image | N-(3-Fluoro-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide | C20H22FN7O

N-(3-Fluoro-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide

  • Molecular FormulaC20H22FN7O
  • Average mass395.433 Da
  • Monoisotopic mass395.186981 Da
  • ChemSpider ID26293275

More details:

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

1-Piperazinecarboxamide, N-(3-fluoro-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]- [ACD/Index Name]
N-(3-Fluor-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(3-Fluoro-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methyl-4-pyrimidinyl]-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(3-Fluoro-2-méthylphényl)-4-[6-(1H-imidazol-1-yl)-2-méthyl-4-pyrimidinyl]-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
1171092-15-1 [RN]
4-(6-(1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
N-(3-fluoro-2-methylphenyl)-4-[6-(1H-imidazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 109.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 5.75
ACD/KOC (pH 5.5): 94.36
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.85
ACD/KOC (pH 7.4): 227.19
Polar Surface Area: 79 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 290.0±7.0 cm3

Click to predict properties on the Chemicalize site


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