ChemSpider 2D Image | 4-{3-[(4-Methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid | C21H20N2O3S

4-{3-[(4-Methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid

  • Molecular FormulaC21H20N2O3S
  • Average mass380.460 Da
  • Monoisotopic mass380.119476 Da
  • ChemSpider ID26325247

More details:

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

1H-Benzimidazole-1-butanoic acid, 2,3-dihydro-3-[(4-methylbenzo[b]thien-3-yl)methyl]-2-oxo- [ACD/Index Name]
4-{3-[(4-Methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoic acid [ACD/IUPAC Name]
4-{3-[(4-Methyl-1-benzothiophen-3-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butansäure [German] [ACD/IUPAC Name]
Acide 4-{3-[(4-méthyl-1-benzothiophén-3-yl)méthyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}butanoïque [French] [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 604.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.3±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 324.61
ACD/KOC (pH 5.5): 1205.23
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 5.11
ACD/KOC (pH 7.4): 18.99
Polar Surface Area: 89 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

Click to predict properties on the Chemicalize site


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