ChemSpider 2D Image | 2-[4-({4-Methyl-6-[(3-phenylpropyl)carbamoyl]-2-propyl-1H-benzimidazol-1-yl}methyl)-1H-indol-1-yl]benzoic acid | C37H36N4O3

2-[4-({4-Methyl-6-[(3-phenylpropyl)carbamoyl]-2-propyl-1H-benzimidazol-1-yl}methyl)-1H-indol-1-yl]benzoic acid

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID128715632

More details:

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

2-[4-({4-Methyl-6-[(3-phenylpropyl)carbamoyl]-2-propyl-1H-benzimidazol-1-yl}methyl)-1H-indol-1-yl]benzoesäure [German] [ACD/IUPAC Name]
2-[4-({4-Methyl-6-[(3-phenylpropyl)carbamoyl]-2-propyl-1H-benzimidazol-1-yl}methyl)-1H-indol-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 2-[4-({4-méthyl-6-[(3-phénylpropyl)carbamoyl]-2-propyl-1H-benzimidazol-1-yl}méthyl)-1H-indol-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[4-[[4-methyl-6-[[(3-phenylpropyl)amino]carbonyl]-2-propyl-1H-benzimidazol-1-yl]methyl]-1H-indol-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4465863/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 799.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.6±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 174.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 3080.80
ACD/KOC (pH 5.5): 3096.99
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 265.15
ACD/KOC (pH 7.4): 266.55
Polar Surface Area: 89 Å2
Polarizability: 69.0±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 477.1±7.0 cm3

Click to predict properties on the Chemicalize site


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