ChemSpider 2D Image | 2-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide | C22H29N7O2

2-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide

  • Molecular FormulaC22H29N7O2
  • Average mass423.511 Da
  • Monoisotopic mass423.238281 Da
  • ChemSpider ID22800891

More details:

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

1-Piperazineacetamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-α-methyl-4-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl]- [ACD/Index Name]
2-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamid [German] [ACD/IUPAC Name]
2-[4-(2-Isopropyl-6-methyl-4-pyrimidinyl)-1-piperazinyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide [ACD/IUPAC Name]
2-[4-(2-Isopropyl-6-méthyl-4-pyrimidinyl)-1-pipérazinyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 118.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 24.00
Polar Surface Area: 102 Å2
Polarizability: 46.8±0.5 10-24cm3
Surface Tension: 57.7±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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