ChemSpider 2D Image | 4-{1-Methyl-2-(1-piperazinyl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamine | C28H29F3N6

4-{1-Methyl-2-(1-piperazinyl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamine

  • Molecular FormulaC28H29F3N6
  • Average mass506.565 Da
  • Monoisotopic mass506.240570 Da
  • ChemSpider ID8046531

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Pyridinamine, 4-[1-methyl-2-(1-piperazinyl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-N-[(1S)-1-phenylethyl]- [ACD/Index Name]
4-{1-Methyl-2-(1-piperazinyl)-5-[3-(trifluormethyl)phenyl]-1H-imidazol-4-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamin [German] [ACD/IUPAC Name]
4-{1-Methyl-2-(1-piperazinyl)-5-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamine [ACD/IUPAC Name]
4-{1-Méthyl-2-(1-pipérazinyl)-5-[3-(trifluorométhyl)phényl]-1H-imidazol-4-yl}-N-[(1S)-1-phényléthyl]-2-pyridinamine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.1±34.3 °C
Index of Refraction: 1.624
Molar Refractivity: 138.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 12.94
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 206.87
ACD/KOC (pH 7.4): 795.87
Polar Surface Area: 58 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 43.5±7.0 dyne/cm
Molar Volume: 392.9±7.0 cm3

Click to predict properties on the Chemicalize site


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