ChemSpider 2D Image | 4-{1-Methyl-2-(4-piperidinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamine | C29H30F3N5

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

  • Molecular FormulaC29H30F3N5
  • Average mass505.577 Da
  • Monoisotopic mass505.245331 Da
  • ChemSpider ID7981942
  • 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-(4-piperidinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]-N-[(1S)-1-phenylethyl]- [ACD/Index Name]
4-{1-Methyl-2-(4-piperidinyl)-4-[3-(trifluormethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamin [German] [ACD/IUPAC Name]
4-{1-Methyl-2-(4-piperidinyl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]-2-pyridinamine [ACD/IUPAC Name]
4-{1-Méthyl-2-(4-pipéridinyl)-4-[3-(trifluorométhyl)phényl]-1H-imidazol-5-yl}-N-[(1S)-1-phényléthyl]-2-pyridinamine [French] [ACD/IUPAC Name]
4-{1-methyl-2-(piperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl}-N-[(1S)-1-phenylethyl]pyridin-2-amine
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyridin-2-yl}-((S)-1-phenyl-ethyl)-amine
189442-43-1 [RN]
L-790070

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 640.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 139.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 11.06
ACD/KOC (pH 5.5): 19.97
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 126.58
ACD/KOC (pH 7.4): 228.69
Polar Surface Area: 55 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 398.2±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement