ChemSpider 2D Image | Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate | C23H22N4O4

Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate

  • Molecular FormulaC23H22N4O4
  • Average mass418.445 Da
  • Monoisotopic mass418.164093 Da
  • ChemSpider ID30657340

More details:

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

1H-Benzimidazole-5-carboxylic acid, 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-, ethyl ester [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazole-5-carboxylate [ACD/IUPAC Name]
Ethyl-2-(1,3-benzodioxol-5-yl)-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 114.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 6.44
ACD/KOC (pH 5.5): 51.45
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 130.24
ACD/KOC (pH 7.4): 1040.54
Polar Surface Area: 80 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 306.9±7.0 cm3

Click to predict properties on the Chemicalize site


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