ChemSpider 2D Image | 2-(4-Isopropoxybenzyl)-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazole | C23H28N4O3

2-(4-Isopropoxybenzyl)-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazole

  • Molecular FormulaC23H28N4O3
  • Average mass408.493 Da
  • Monoisotopic mass408.216156 Da
  • ChemSpider ID128918598

More details:

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

1H-Benzimidazole, 2-[[4-(1-methylethoxy)phenyl]methyl]-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]- [ACD/Index Name]
2-(4-Isopropoxybenzyl)-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-(4-Isopropoxybenzyl)-5-nitro-1-[2-(1-pyrrolidinyl)ethyl]-1H-benzimidazole [ACD/IUPAC Name]
2-(4-Isopropoxybenzyl)-5-nitro-1-[2-(1-pyrrolidinyl)éthyl]-1H-benzimidazole [French] [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: 610.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 323.2±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 8.58
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 10.23
ACD/KOC (pH 7.4): 37.06
Polar Surface Area: 76 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 325.0±7.0 cm3

Click to predict properties on the Chemicalize site


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