ChemSpider 2D Image | 2-(4-bromophenyl)-1,2-dihydropyrimido(1,2-a)benzimidazol-4(3H)-one | C16H12BrN3O

2-(4-bromophenyl)-1,2-dihydropyrimido(1,2-a)benzimidazol-4(3H)-one

  • Molecular FormulaC16H12BrN3O
  • Average mass342.190 Da
  • Monoisotopic mass341.016357 Da
  • ChemSpider ID21134971

More details:

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

2-(4-bromophenyl)-1,2-dihydropyrimido(1,2-a)benzimidazol-4(3H)-one
2-(4-Bromophenyl)-2,10-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one [ACD/IUPAC Name]
2-(4-Bromophényl)-2,10-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one [French] [ACD/IUPAC Name]
2-(4-Bromphenyl)-2,10-dihydropyrimido[1,2-a]benzimidazol-4(3H)-on [German] [ACD/IUPAC Name]
Pyrimido[1,2-a]benzimidazol-4(1H)-one, 2-(4-bromophenyl)-2,3-dihydro- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 523.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.1±32.9 °C
Index of Refraction: 1.757
Molar Refractivity: 84.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 323.96
ACD/KOC (pH 5.5): 2172.09
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.50
ACD/KOC (pH 7.4): 2202.52
Polar Surface Area: 47 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 206.2±7.0 cm3

Click to predict properties on the Chemicalize site


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