ChemSpider 2D Image | 2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole | C18H17F2N3

2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole

  • Molecular FormulaC18H17F2N3
  • Average mass313.345 Da
  • Monoisotopic mass313.139069 Da
  • ChemSpider ID29850050

  • 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-[(3,4-difluorophenyl)methyl]-3-pyrrolidinyl]- [ACD/Index Name]
2-[(3S)-1-(3,4-Difluorbenzyl)-3-pyrrolidinyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[(3S)-1-(3,4-Difluorobenzyl)-3-pyrrolidinyl]-1H-benzimidazole [ACD/IUPAC Name]
2-[(3S)-1-(3,4-Difluorobenzyl)-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: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.648
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.01
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 34.93
ACD/KOC (pH 7.4): 311.41
Polar Surface Area: 32 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 236.3±3.0 cm3

Click to predict properties on the Chemicalize site


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