ChemSpider 2D Image | 2,2'-Bis{4-[3-(1-piperidinyl)propyl]phenyl}-1H,1'H-5,5'-bibenzimidazole | C42H48N6

2,2'-Bis{4-[3-(1-piperidinyl)propyl]phenyl}-1H,1'H-5,5'-bibenzimidazole

  • Molecular FormulaC42H48N6
  • Average mass636.871 Da
  • Monoisotopic mass636.394043 Da
  • ChemSpider ID26593252

More details:






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

2,2'-Bis{4-[3-(1-piperidinyl)propyl]phenyl}-1H,1'H-5,5'-bibenzimidazol [German] [ACD/IUPAC Name]
2,2'-Bis{4-[3-(1-piperidinyl)propyl]phenyl}-1H,1'H-5,5'-bibenzimidazole [ACD/IUPAC Name]
2,2'-Bis{4-[3-(1-pipéridinyl)propyl]phényl}-1H,1'H-5,5'-bibenzimidazole [French] [ACD/IUPAC Name]
5,5'-Bi-1H-benzimidazole, 2,2'-bis[4-[3-(1-piperidinyl)propyl]phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 860.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 474.0±37.1 °C
Index of Refraction: 1.652
Molar Refractivity: 198.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 33.75
ACD/KOC (pH 5.5): 25.72
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 85.48
ACD/KOC (pH 7.4): 65.13
Polar Surface Area: 64 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 542.3±3.0 cm3

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