ChemSpider 2D Image | 1-{2-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-azepanyl}methyl)phenoxy]ethyl}-3-methyl-1,3-dihydro-2H-benzimidazol-2-one | C31H36ClN3O4

1-{2-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-azepanyl}methyl)phenoxy]ethyl}-3-methyl-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC31H36ClN3O4
  • Average mass550.088 Da
  • Monoisotopic mass549.239441 Da
  • ChemSpider ID68654441

More details:

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

1-{2-[4-({4-[(2-Chlor-5-methylphenoxy)methyl]-4-hydroxy-1-azepanyl}methyl)phenoxy]ethyl}-3-methyl-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-{2-[4-({4-[(2-Chloro-5-methylphenoxy)methyl]-4-hydroxy-1-azepanyl}methyl)phenoxy]ethyl}-3-methyl-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-{2-[4-({4-[(2-Chloro-5-méthylphénoxy)méthyl]-4-hydroxy-1-azépanyl}méthyl)phénoxy]éthyl}-3-méthyl-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1-[2-[4-[[4-[(2-chloro-5-methylphenoxy)methyl]hexahydro-4-hydroxy-1H-azepin-1-yl]methyl]phenoxy]ethyl]-1,3-dihydro-3-methyl- [ACD/Index 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: 689.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.8±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 153.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 14.47
ACD/KOC (pH 5.5): 43.49
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 704.76
ACD/KOC (pH 7.4): 2118.28
Polar Surface Area: 65 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

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