ChemSpider 2D Image | 4-[3-(2,5-Dimethylbenzyl)-1,6,7-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzamide | C26H26N6O3

4-[3-(2,5-Dimethylbenzyl)-1,6,7-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzamide

  • Molecular FormulaC26H26N6O3
  • Average mass470.523 Da
  • Monoisotopic mass470.206635 Da
  • ChemSpider ID28615096

More details:

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

4-[3-(2,5-Dimethylbenzyl)-1,6,7-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzamid [German] [ACD/IUPAC Name]
4-[3-(2,5-Dimethylbenzyl)-1,6,7-trimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzamide [ACD/IUPAC Name]
4-[3-(2,5-Diméthylbenzyl)-1,6,7-triméthyl-2,4-dioxo-1,2,3,4-tétrahydro-8H-imidazo[2,1-f]purin-8-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[3-[(2,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydro-1,6,7-trimethyl-2,4-dioxo-8H-imidazo[2,1-f]purin-8-yl]- [ACD/Index Name]
1374684-35-1 [RN]
4-(3-(2,5-dimethylbenzyl)-1,6,7-trimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzamide
4-{3-[(2,5-dimethylphenyl)methyl]-1,6,7-trimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-8-yl}benzamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.6±34.3 °C
Index of Refraction: 1.704
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 11.44
ACD/KOC (pH 5.5): 70.35
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 289.04
ACD/KOC (pH 7.4): 1776.97
Polar Surface Area: 106 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 340.2±7.0 cm3

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