ChemSpider 2D Image | 1-[(3S,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one | C24H37N3O2

1-[(3S,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC24H37N3O2
  • Average mass399.569 Da
  • Monoisotopic mass399.288574 Da
  • ChemSpider ID58122326

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-[(3S,4R)-1-(Cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-[(3S,4R)-1-(Cyclooctylméthyl)-3-(hydroxyméthyl)-4-pipéridinyl]-3-éthyl-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
2H-Benzimidazol-2-one, 1-[(3S,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)-4-piperidinyl]-3-ethyl-1,3-dihydro- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348865/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 518.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 267.4±28.2 °C
Index of Refraction: 1.559
Molar Refractivity: 116.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 16.11
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 173.42
ACD/KOC (pH 7.4): 661.37
Polar Surface Area: 47 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 360.0±3.0 cm3

Click to predict properties on the Chemicalize site


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