ChemSpider 2D Image | 4-(1-{5-[4-(Methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoyl}-3-azetidinyl)benzonitrile | C25H23F3N4O2

4-(1-{5-[4-(Methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoyl}-3-azetidinyl)benzonitrile

  • Molecular FormulaC25H23F3N4O2
  • Average mass468.471 Da
  • Monoisotopic mass468.177307 Da
  • ChemSpider ID72380015

More details:

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

2097262-58-1 [RN]
4-(1-{5-[4-(Methoxymethyl)-2-(trifluormethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoyl}-3-azetidinyl)benzonitril [German] [ACD/IUPAC Name]
4-(1-{5-[4-(Methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoyl}-3-azetidinyl)benzonitrile [ACD/IUPAC Name]
4-(1-{5-[4-(Méthoxyméthyl)-2-(trifluorométhyl)-1H-imidazol-5-yl]-2,4-diméthylbenzoyl}-3-azétidinyl)benzonitrile [French] [ACD/IUPAC Name]
4-(1-{5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl}azetidin-3-yl)benzonitrile
Benzonitrile, 4-[1-[5-[4-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-5-yl]-2,4-dimethylbenzoyl]-3-azetidinyl]- [ACD/Index Name]
4-[1-[5-[5-(methoxymethyl)-2-(trifluoromethyl)-1H-imidazol-4-yl]-2,4-dimethylbenzoyl]azetidin-3-yl]benzonitrile
TVB-3664

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

Density: 1.4±0.1 g/cm3
Boiling Point: 665.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.4±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 118.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 484.73
ACD/KOC (pH 5.5): 2909.29
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 482.78
ACD/KOC (pH 7.4): 2897.63
Polar Surface Area: 82 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 342.3±5.0 cm3

Click to predict properties on the Chemicalize site


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