ChemSpider 2D Image | 2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole | C19H18F3N3

2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole

  • Molecular FormulaC19H18F3N3
  • Average mass345.362 Da
  • Monoisotopic mass345.145294 Da
  • ChemSpider ID29850064

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole, 2-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrrolidinyl]- [ACD/Index Name]
2-{(3S)-1-[4-(Trifluormethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
2-{(3S)-1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole [ACD/IUPAC Name]
2-{(3S)-1-[4-(Trifluorométhyl)benzyl]-3-pyrrolidinyl}-1H-benzimidazole [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: 492.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 251.8±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.80
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 74.07
ACD/KOC (pH 7.4): 464.92
Polar Surface Area: 32 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 261.4±3.0 cm3

Click to predict properties on the Chemicalize site


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