ChemSpider 2D Image | 2-{[(3-Bromophenyl)amino]methylene}-3-methyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile | C20H13BrN4O

2-{[(3-Bromophenyl)amino]methylene}-3-methyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile

  • Molecular FormulaC20H13BrN4O
  • Average mass405.247 Da
  • Monoisotopic mass404.027252 Da
  • ChemSpider ID35355904

More details:






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

2-{[(3-Bromophenyl)amino]methylene}-3-methyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile [ACD/IUPAC Name]
2-{[(3-Bromophényl)amino]méthylène}-3-méthyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile [French] [ACD/IUPAC Name]
2-{[(3-Bromphenyl)amino]methylen}-3-methyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazol-4-carbonitril [German] [ACD/IUPAC Name]
Pyrido[1,2-a]benzimidazole-4-carbonitrile, 2-[[(3-bromophenyl)amino]methylene]-1,2-dihydro-3-methyl-1-oxo- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 531.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.3±32.9 °C
Index of Refraction: 1.716
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1268.18
ACD/KOC (pH 5.5): 5792.37
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1268.18
ACD/KOC (pH 7.4): 5792.37
Polar Surface Area: 71 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 266.4±7.0 cm3

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