ChemSpider 2D Image | 1-({1-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}methyl)cyclopentanecarboxylic acid | C34H31N5O4

1-({1-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}methyl)cyclopentanecarboxylic acid

  • Molecular FormulaC34H31N5O4
  • Average mass573.641 Da
  • Monoisotopic mass573.237610 Da
  • ChemSpider ID58930457

More details:

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

1-({1-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)benzyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl}methyl)cyclopentanecarboxylic acid [ACD/IUPAC Name]
1-({5-(2-Chinolinylmethoxy)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzyl]-1H-benzimidazol-2-yl}methyl)cyclopentancarbonsäure [German] [ACD/IUPAC Name]
Acide 1-({1-[4-(5-méthyl-1,2,4-oxadiazol-3-yl)benzyl]-5-(2-quinoléinylméthoxy)-1H-benzimidazol-2-yl}méthyl)cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1-[[1-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5-(2-quinolinylmethoxy)-1H-benzimidazol-2-yl]methyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 828.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 455.0±37.1 °C
Index of Refraction: 1.698
Molar Refractivity: 162.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 630.51
ACD/KOC (pH 5.5): 1535.17
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 14.02
ACD/KOC (pH 7.4): 34.13
Polar Surface Area: 116 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 420.9±7.0 cm3

Click to predict properties on the Chemicalize site


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