ChemSpider 2D Image | 2-[(2,6-Dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2,2-difluoroethoxy)-1-methyl-N-[trans-4-(trifluoromethyl)cyclohexyl]-1H-benzimidazole-5-carboxamide | C30H34Cl2F5N5O3

2-[(2,6-Dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2,2-difluoroethoxy)-1-methyl-N-[trans-4-(trifluoromethyl)cyclohexyl]-1H-benzimidazole-5-carboxamide

  • Molecular FormulaC30H34Cl2F5N5O3
  • Average mass678.521 Da
  • Monoisotopic mass677.195862 Da
  • ChemSpider ID57606959

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Benzimidazole-5-carboxamide, 2-[[2,6-dichloro-3-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]phenyl]amino]-6-(2,2-difluoroethoxy)-1-methyl-N-[trans-4-(trifluoromethyl)cyclohexyl]- [ACD/Index Name]
2-[(2,6-Dichlor-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2,2-difluorethoxy)-1-methyl-N-[trans-4-(trifluormethyl)cyclohexyl]-1H-benzimidazol-5-carboxamid [German] [ACD/IUPAC Name]
2-[(2,6-Dichloro-3-{[(2,2-dimethylpropanoyl)amino]methyl}phenyl)amino]-6-(2,2-difluoroethoxy)-1-methyl-N-[trans-4-(trifluoromethyl)cyclohexyl]-1H-benzimidazole-5-carboxamide [ACD/IUPAC Name]
2-[(2,6-Dichloro-3-{[(2,2-diméthylpropanoyl)amino]méthyl}phényl)amino]-6-(2,2-difluoroéthoxy)-1-méthyl-N-[trans-4-(trifluorométhyl)cyclohexyl]-1H-benzimidazole-5-carboxamide [French] [ACD/IUPAC Name]
1360622-01-0 [RN]
2-({2,6-dichloro-3-[(2,2-dimethylpropanamido)methyl]phenyl}amino)-6-(2,2-difluoroethoxy)-1-methyl-N-[(1r,4r)-4-(trifluoromethyl)cyclohexyl]-1H-1,3-benzodiazole-5-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.589
Molar Refractivity: 158.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 5.37
ACD/BCF (pH 5.5): 6984.28
ACD/KOC (pH 5.5): 19248.09
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7494.79
ACD/KOC (pH 7.4): 20655.01
Polar Surface Area: 97 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 471.4±7.0 cm3

Click to predict properties on the Chemicalize site


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