ChemSpider 2D Image | N-[(2S)-1-{[(2S,3S,5S)-1-Cyclohexyl-3,5-dihydroxy-6-methyl-2-heptanyl]amino}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]-1H-benzimidazole-2-carboxamide | C28H40N6O4

N-[(2S)-1-{[(2S,3S,5S)-1-Cyclohexyl-3,5-dihydroxy-6-methyl-2-heptanyl]amino}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]-1H-benzimidazole-2-carboxamide

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID23148662

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Benzimidazole-2-carboxamide, N-[(1S)-2-[[(1S,2S,4S)-1-(cyclohexylmethyl)-2,4-dihydroxy-5-methylhexyl]amino]-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl]- [ACD/Index Name]
N-[(2S)-1-{[(2S,3S,5S)-1-Cyclohexyl-3,5-dihydroxy-6-methyl-2-heptanyl]amino}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]-1H-benzimidazol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S,5S)-1-Cyclohexyl-3,5-dihydroxy-6-methyl-2-heptanyl]amino}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]-1H-benzimidazole-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S,5S)-1-Cyclohexyl-3,5-dihydroxy-6-méthyl-2-heptanyl]amino}-3-(1H-imidazol-4-yl)-1-oxo-2-propanyl]-1H-benzimidazole-2-carboxamide [French] [ACD/IUPAC Name]
1H-Benzoimidazole-2-carboxylic acid [(S)-1-((1S,2S,4S)-1-cyclohexylmethyl-2,4-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-amide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.21
ACD/KOC (pH 5.5): 18.15
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 15.89
ACD/KOC (pH 7.4): 239.47
Polar Surface Area: 156 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 418.1±3.0 cm3

Click to predict properties on the Chemicalize site


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