ChemSpider 2D Image | 2-[4-(2-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl}ethyl)phenyl]-2-(~2~H_3_)methyl(~2~H_3_)propanoic acid | C28H31D6N3O3

2-[4-(2-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl}ethyl)phenyl]-2-(2H3)methyl(2H3)propanoic acid

  • Molecular FormulaC28H31D6N3O3
  • Average mass469.649 Da
  • Monoisotopic mass469.321167 Da
  • ChemSpider ID77450838

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(2-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl}ethyl)phenyl]-2-(2H3)methyl(2H3)propanoic acid [ACD/IUPAC Name]
2-[4-(2-{4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl}ethyl)phenyl]-2-(2H3)methyl(2H3)propansäure [German] [ACD/IUPAC Name]
Acide 2-[4-(2-{4-[1-(2-éthoxyéthyl)-1H-benzimidazol-2-yl]-1-pipéridinyl}éthyl)phényl]-2-(2H3)méthyl(2H3)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-di(methyl-d3)- [ACD/Index Name]
1215358-58-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 639.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 8.57
ACD/KOC (pH 5.5): 29.46
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 10.54
ACD/KOC (pH 7.4): 36.21
Polar Surface Area: 68 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 398.9±7.0 cm3

Click to predict properties on the Chemicalize site


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