ChemSpider 2D Image | Dimethyl 4-benzyl-1-cyano-4H-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate | C22H17N3O4

Dimethyl 4-benzyl-1-cyano-4H-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate

  • Molecular FormulaC22H17N3O4
  • Average mass387.388 Da
  • Monoisotopic mass387.121918 Da
  • ChemSpider ID24743902

More details:

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

4-Benzyl-1-cyano-4H-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
4H-Pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylic acid, 1-cyano-4-(phenylmethyl)-, dimethyl ester [ACD/Index Name]
Dimethyl 4-benzyl-1-cyano-4H-pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate [ACD/IUPAC Name]
Dimethyl-4-benzyl-1-cyan-4H-pyrrolo[1,2-a]benzimidazol-2,3-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.7±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 420.02
ACD/KOC (pH 5.5): 2626.29
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 420.02
ACD/KOC (pH 7.4): 2626.29
Polar Surface Area: 86 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 296.7±7.0 cm3

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