ChemSpider 2D Image | 1-{(3S)-1-[4-(1-Benzofuran-2-yl)-2-pyrimidinyl]-3-piperidinyl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one | C26H25N5O2

1-{(3S)-1-[4-(1-Benzofuran-2-yl)-2-pyrimidinyl]-3-piperidinyl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one

  • Molecular FormulaC26H25N5O2
  • Average mass439.509 Da
  • Monoisotopic mass439.200836 Da
  • ChemSpider ID26328729

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{(3S)-1-[4-(1-Benzofuran-2-yl)-2-pyrimidinyl]-3-piperidinyl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-on [German] [ACD/IUPAC Name]
1-{(3S)-1-[4-(1-Benzofuran-2-yl)-2-pyrimidinyl]-3-piperidinyl}-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one [ACD/IUPAC Name]
1-{(3S)-1-[4-(1-Benzofuran-2-yl)-2-pyrimidinyl]-3-pipéridinyl}-3-éthyl-1,3-dihydro-2H-benzimidazol-2-one [French] [ACD/IUPAC Name]
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
2H-Benzimidazol-2-one, 1-[(3S)-1-[4-(2-benzofuranyl)-2-pyrimidinyl]-3-piperidinyl]-3-ethyl-1,3-dihydro- [ACD/Index Name]
[1304778-15-1] [RN]
1304778-15-1 [RN]
MFCD22683812
QJ9
TC-F 2

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 4355
      Fatty Acid Amide Hydrolase (FAAH) Tocris Bioscience 4355
      Hydrolases Tocris Bioscience 4355
      Potent, reversible and selective FAAH inhibitor Tocris Bioscience 4355
      Potent, reversible inhibitor of fatty acid amide hydrolase (FAAH) (IC50 values are 28 and 100 nM for human and rat FAAH respectively). Noncovalent inhibitor; displays selectivity for FAAH over cannabi noid-related targets (IC50 > 20 ?M for CB1, CB2 and TRPV1). Active in vivo. Tocris Bioscience 4355
      Potent, reversible inhibitor of fatty acid amide hydrolase (FAAH) (IC50 values are 28 and 100 nM for human and rat FAAH respectively). Noncovalent inhibitor; displays selectivity for FAAH over cannabinoid-related targets (IC50 > 20 ?M for CB1, CB2 and TRPV1). Active in vivo. Tocris Bioscience 4355
      Potent, reversible inhibitor of fatty acid amide hydrolase (FAAH) (IC50 values are 28 and 100 nM for human and rat FAAH respectively). Noncovalent inhibitor; displays selectivity for FAAH over cannabinoid-related targets (IC50 > 20 muM for CB1, CB2 and TRPV1). Active in vivo. Tocris Bioscience 4355

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

Density: 1.3±0.1 g/cm3
Boiling Point: 639.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.3±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 125.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1881.71
ACD/KOC (pH 5.5): 6415.83
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3508.47
ACD/KOC (pH 7.4): 11962.38
Polar Surface Area: 66 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement