ChemSpider 2D Image | 1-(4-Isopropylphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine | C27H24N6

1-(4-Isopropylphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine

  • Molecular FormulaC27H24N6
  • Average mass432.520 Da
  • Monoisotopic mass432.206238 Da
  • ChemSpider ID21609315

More details:

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

1-(4-Isopropylphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]chinoxalin-2-amin [German] [ACD/IUPAC Name]
1-(4-Isopropylphenyl)-3-(1-methyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine [ACD/IUPAC Name]
1-(4-Isopropylphényl)-3-(1-méthyl-1H-benzimidazol-2-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]quinoxalin-2-amine, 3-(1-methyl-1H-benzimidazol-2-yl)-1-[4-(1-methylethyl)phenyl]- [ACD/Index Name]
3-(1-methylbenzimidazol-2-yl)-1-[4-(methylethyl)phenyl]pyrrolo[2,3-b]quinoxaline-2-ylamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.6±34.3 °C
Index of Refraction: 1.731
Molar Refractivity: 130.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3331.10
ACD/KOC (pH 5.5): 11428.95
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3468.58
ACD/KOC (pH 7.4): 11900.65
Polar Surface Area: 75 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 325.6±7.0 cm3

Click to predict properties on the Chemicalize site


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