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

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

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID29169446

More details:






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

1H-Benzimidazole-5-carboxamide, 2-[[[[(2,5-difluorophenyl)amino]carbonyl]methylamino]methyl]-1-methyl-N-(1-methylethyl)- [ACD/Index Name]
2-({[(2,5-Difluorophenyl)carbamoyl](methyl)amino}methyl)-N-isopropyl-1-methyl-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
2-({[(2,5-Difluorophényl)carbamoyl](méthyl)amino}méthyl)-N-isopropyl-1-méthyl-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]
2-({[(2,5-Difluorphenyl)carbamoyl](methyl)amino}methyl)-N-isopropyl-1-methyl-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: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.91
ACD/KOC (pH 5.5): 767.40
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.45
ACD/KOC (pH 7.4): 782.90
Polar Surface Area: 79 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 317.5±7.0 cm3

Click to predict properties on the Chemicalize site






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