ChemSpider 2D Image | N,N'-{[3-(2-Amino-1H-imidazol-5-yl)-4-(2-amino-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) | C22H24Br2N10O3

N,N'-{[3-(2-Amino-1H-imidazol-5-yl)-4-(2-amino-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide)

  • Molecular FormulaC22H24Br2N10O3
  • Average mass636.299 Da
  • Monoisotopic mass634.039917 Da
  • ChemSpider ID169302

More details:

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

1H-Pyrrole-2-carboxamide, N,N'-[[3-(2-amino-4,5-dihydro-5-oxo-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-5-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo- [ACD/Index Name]
N,N'-{[3-(2-Amino-1H-imidazol-5-yl)-4-(2-amino-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-1,2-cyclobutandiyl]dimethylen}bis(4-brom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[3-(2-Amino-1H-imidazol-5-yl)-4-(2-amino-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[3-(2-Amino-1H-imidazol-5-yl)-4-(2-amino-5-oxo-4,5-dihydro-1H-imidazol-4-yl)-1,2-cyclobutanediyl]diméthylène}bis(4-bromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]
117417-62-6 [RN]
13689-20-8 [RN]
1H-Pyrrole-2-carboxamide, N,N'-((3-(2-amino-4,5-dihydro-5-oxo-1H-imidazol-4-yl)-4-(2-amino-1H-imidazol-4-yl)-1,2-cyclobutanediyl)bis(methylene))bis(4-bromo-, (1R-(1α,2β,3α,4β))-
N-[[3-(2-amino-1H-imidazol-5-yl)-2-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
N-[[3-(2-amino-1H-imidazol-5-yl)-2-(2-amino-5-oxo-1,4-dihydroimidazol-4-yl)-4-[[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]cyclobutyl]methyl]-4-bromo-1H-pyrrole-2-carboxamide
N-[[3-(2-azanyl-1H-imidazol-5-yl)-2-(2-azanyl-5-oxidanylidene-1,4-dihydroimidazol-4-yl)-4-[[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]methyl]cyclobutyl]methyl]-4-bromanyl-1H-pyrrole-2-carboxamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.913
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -2.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.88
Polar Surface Area: 212 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 93.0±7.0 dyne/cm
Molar Volume: 291.8±7.0 cm3

Click to predict properties on the Chemicalize site


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