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Search term: UKUBUHNENSJHLR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4'-{[2-Butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]methyl}-2-biphenylcarboxylic acid | C30H33N3O3

4'-{[2-Butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]methyl}-2-biphenylcarboxylic acid

  • Molecular FormulaC30H33N3O3
  • Average mass483.601 Da
  • Monoisotopic mass483.252197 Da
  • ChemSpider ID23331695

More details:

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

[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2-butyl-5-[(1-oxopentyl)amino]-1H-benzimidazol-1-yl]methyl]- [ACD/Index Name]
4'-{[2-Butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]methyl}-2-biphenylcarbonsäure [German] [ACD/IUPAC Name]
4'-{[2-Butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]methyl}-2-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 4'-{[2-butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]méthyl}-2-biphénylcarboxylique [French] [ACD/IUPAC Name]
4'-(2-Butyl-5-pentanoylamino-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
4'-{[2-butyl-5-(pentanoylamino)-1H-benzimidazol-1-yl]methyl}biphenyl-2-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519564/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 400.7±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 142.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 656.04
ACD/KOC (pH 5.5): 1117.20
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 41.74
ACD/KOC (pH 7.4): 71.09
Polar Surface Area: 84 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 411.2±7.0 cm3

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