ChemSpider 2D Image | 6-(4-Methyl-1-piperazinyl)-2'-[4-(10-undecyn-1-yloxy)phenyl]-1H,3'H-2,5'-bibenzimidazole | C36H42N6O

6-(4-Methyl-1-piperazinyl)-2'-[4-(10-undecyn-1-yloxy)phenyl]-1H,3'H-2,5'-bibenzimidazole

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID58982706

More details:

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

2,6'-Bi-1H-benzimidazole, 6-(4-methyl-1-piperazinyl)-2'-[4-(10-undecyn-1-yloxy)phenyl]- [ACD/Index Name]
6-(4-Methyl-1-piperazinyl)-2'-[4-(10-undecin-1-yloxy)phenyl]-1H,3'H-2,5'-bibenzimidazol [German] [ACD/IUPAC Name]
6-(4-Methyl-1-piperazinyl)-2'-[4-(10-undecyn-1-yloxy)phenyl]-1H,3'H-2,5'-bibenzimidazole [ACD/IUPAC Name]
6-(4-Méthyl-1-pipérazinyl)-2'-[4-(10-undécyn-1-yloxy)phényl]-1H,3'H-2,5'-bibenzimidazole [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 429.3±35.7 °C
Index of Refraction: 1.639
Molar Refractivity: 175.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 50.60
ACD/KOC (pH 5.5): 85.87
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 14725.15
ACD/KOC (pH 7.4): 24989.58
Polar Surface Area: 73 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 487.5±3.0 cm3

Click to predict properties on the Chemicalize site


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