ChemSpider 2D Image | 4-(1,3-Dimethyl-1H-pyrazol-4-yl)-N-[2-(5-fluoro-1H-benzimidazol-2-yl)ethyl]-2-pyrimidinamine | C18H18FN7

4-(1,3-Dimethyl-1H-pyrazol-4-yl)-N-[2-(5-fluoro-1H-benzimidazol-2-yl)ethyl]-2-pyrimidinamine

  • Molecular FormulaC18H18FN7
  • Average mass351.381 Da
  • Monoisotopic mass351.160767 Da
  • ChemSpider ID24832529

More details:

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

1H-Benzimidazole-2-ethanamine, N-[4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-pyrimidinyl]-6-fluoro- [ACD/Index Name]
4-(1,3-Dimethyl-1H-pyrazol-4-yl)-N-[2-(5-fluor-1H-benzimidazol-2-yl)ethyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-(1,3-Dimethyl-1H-pyrazol-4-yl)-N-[2-(5-fluoro-1H-benzimidazol-2-yl)ethyl]-2-pyrimidinamine [ACD/IUPAC Name]
4-(1,3-Diméthyl-1H-pyrazol-4-yl)-N-[2-(5-fluoro-1H-benzimidazol-2-yl)éthyl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-(1,3-dimethyl-1H-pyrazol-4-yl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 646.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±34.3 °C
Index of Refraction: 1.710
Molar Refractivity: 97.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 33.19
ACD/KOC (pH 5.5): 373.78
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.59
ACD/KOC (pH 7.4): 592.20
Polar Surface Area: 84 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 248.4±7.0 cm3

Click to predict properties on the Chemicalize site


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