ChemSpider 2D Image | 5,6-Dibromo-1-isopropyl-4-nitro-2-(4-piperidinyl)-1H-benzimidazole | C15H18Br2N4O2

5,6-Dibromo-1-isopropyl-4-nitro-2-(4-piperidinyl)-1H-benzimidazole

  • Molecular FormulaC15H18Br2N4O2
  • Average mass446.137 Da
  • Monoisotopic mass443.979645 Da
  • ChemSpider ID81367232

More details:

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

1H-Benzimidazole, 5,6-dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)- [ACD/Index Name]
5,6-Dibrom-1-isopropyl-4-nitro-2-(4-piperidinyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
5,6-Dibromo-1-isopropyl-4-nitro-2-(4-piperidinyl)-1H-benzimidazole [ACD/IUPAC Name]
5,6-Dibromo-1-isopropyl-4-nitro-2-(4-pipéridinyl)-1H-benzimidazole [French] [ACD/IUPAC Name]
1616359-00-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4467168/
SEL24-B489

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

Density: 1.9±0.1 g/cm3
Boiling Point: 533.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.727
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.42
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.75
ACD/KOC (pH 7.4): 16.75
Polar Surface Area: 76 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 237.5±7.0 cm3

Click to predict properties on the Chemicalize site


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