ChemSpider 2D Image | 2-({[(2,4-Difluorophenyl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-benzimidazole-5-carboxamide | C21H23F2N5O2

2-({[(2,4-Difluorophenyl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-benzimidazole-5-carboxamide

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID29169336

More details:






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

1H-Benzimidazole-5-carboxamide, 2-[[[[(2,4-difluorophenyl)amino]carbonyl]methylamino]methyl]-1-ethyl-N,N-dimethyl- [ACD/Index Name]
2-({[(2,4-Difluorophenyl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
2-({[(2,4-Difluorophényl)carbamoyl](méthyl)amino}méthyl)-1-éthyl-N,N-diméthyl-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]
2-({[(2,4-Difluorphenyl)carbamoyl](methyl)amino}methyl)-1-ethyl-N,N-dimethyl-1H-benzimidazol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.6±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 110.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 36.64
ACD/KOC (pH 5.5): 450.95
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 38.72
ACD/KOC (pH 7.4): 476.55
Polar Surface Area: 70 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 323.6±7.0 cm3

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