ChemSpider 2D Image | naamidine I | C26H30N6O5

naamidine I

  • Molecular FormulaC26H30N6O5
  • Average mass506.554 Da
  • Monoisotopic mass506.227783 Da
  • ChemSpider ID23076584

More details:

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

(2E)-5-{[(2E)-5-(4-hydroxy-3,5-dimethoxybenzyl)-4-(4-methoxybenzyl)-1-methyl-1,3-dihydro-2H-imidazol-2-ylidene]amino}-3-methyl-2-(methylimino)-2,3-dihydro-4H-imidazol-4-one
(2Z)-5-{[5-(4-Hydroxy-3,5-dimethoxybenzyl)-4-(4-methoxybenzyl)-1-methyl-1H-imidazol-2-yl]amino}-3-methyl-2-(methylimino)-2,3-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(2Z)-5-{[5-(4-Hydroxy-3,5-dimethoxybenzyl)-4-(4-methoxybenzyl)-1-methyl-1H-imidazol-2-yl]amino}-3-methyl-2-(methylimino)-2,3-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(2Z)-5-{[5-(4-Hydroxy-3,5-diméthoxybenzyl)-4-(4-méthoxybenzyl)-1-méthyl-1H-imidazol-2-yl]amino}-3-méthyl-2-(méthylimino)-2,3-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 5-[[(2E)-1,3-dihydro-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methyl-2H-imidazol-2-ylidene]amino]-2,3-dihydro-3-methyl-2-(methylimino)-, (2Z)- [ACD/Index Name]
naamidine I

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 137.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 22.69
ACD/KOC (pH 5.5): 325.20
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 22.66
ACD/KOC (pH 7.4): 324.70
Polar Surface Area: 121 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 385.7±7.0 cm3

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