ChemSpider 2D Image | 5-{6-(4-Benzyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine | C34H43N7

5-{6-(4-Benzyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

  • Molecular FormulaC34H43N7
  • Average mass549.752 Da
  • Monoisotopic mass549.357971 Da
  • ChemSpider ID121979964

More details:

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

1H-Imidazo[4,5-c]pyridine, 5-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]-4,5,6,7-tetrahydro-4-(1-methylethyl)- [ACD/Index Name]
5-{6-(4-Benzyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin [German] [ACD/IUPAC Name]
5-{6-(4-Benzyl-1-piperazinyl)-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-4-isopropyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine [ACD/IUPAC Name]
5-{6-(4-Benzyl-1-pipérazinyl)-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-4-isopropyl-4,5,6,7-tétrahydro-1H-imidazo[4,5-c]pyridine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 371.9±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 164.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 7.28
ACD/KOC (pH 5.5): 15.57
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 353.61
ACD/KOC (pH 7.4): 756.31
Polar Surface Area: 64 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 475.2±3.0 cm3

Click to predict properties on the Chemicalize site


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