ChemSpider 2D Image | N,N'-{[(4S,5S,6R)-2-Imino-4-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) | C22H22Br4N10O2

N,N'-{[(4S,5S,6R)-2-Imino-4-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4,5-dibromo-1H-pyrrole-2-carboxamide)

  • Molecular FormulaC22H22Br4N10O2
  • Average mass778.092 Da
  • Monoisotopic mass773.866028 Da
  • ChemSpider ID34981199

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N,N'-[[(4S,5S,6R)-4-(2,3-dihydro-2-imino-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-2-imino-1H-benzimidazole-5,6-diyl]bis(methylene)]bis[4,5-dibromo- [ACD/Index Name]
N,N'-{[(4S,5S,6R)-2-Imino-4-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-benzimidazol-5,6-diyl]dimethylen}bis(4,5-dibrom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(4S,5S,6R)-2-Imino-4-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5,6-diyl]bis(methylene)}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(4S,5S,6R)-2-Imino-4-(2-imino-2,3-dihydro-1H-imidazol-4-yl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole-5,6-diyl]diméthylène}bis(4,5-dibromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.923
Molar Refractivity: 151.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.17
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 14.49
Polar Surface Area: 186 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 91.2±7.0 dyne/cm
Molar Volume: 319.6±7.0 cm3

Click to predict properties on the Chemicalize site


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