ChemSpider 2D Image | 5-(6-Bromo-3-pyridinyl)-5-(cyclopentylmethyl)-5H-imidazo[2,1-a]isoindole | C21H20BrN3

5-(6-Bromo-3-pyridinyl)-5-(cyclopentylmethyl)-5H-imidazo[2,1-a]isoindole

  • Molecular FormulaC21H20BrN3
  • Average mass394.308 Da
  • Monoisotopic mass393.084045 Da
  • ChemSpider ID26631594

More details:






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

5-(6-Brom-3-pyridinyl)-5-(cyclopentylmethyl)-5H-imidazo[2,1-a]isoindol [German] [ACD/IUPAC Name]
5-(6-Bromo-3-pyridinyl)-5-(cyclopentylmethyl)-5H-imidazo[2,1-a]isoindole [ACD/IUPAC Name]
5-(6-Bromo-3-pyridinyl)-5-(cyclopentylméthyl)-5H-imidazo[2,1-a]isoindole [French] [ACD/IUPAC Name]
5H-Imidazo[2,1-a]isoindole, 5-(6-bromo-3-pyridinyl)-5-(cyclopentylmethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 284.2±32.9 °C
Index of Refraction: 1.717
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2244.25
ACD/KOC (pH 5.5): 7086.09
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4586.72
ACD/KOC (pH 7.4): 14482.29
Polar Surface Area: 31 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 266.1±7.0 cm3

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