ChemSpider 2D Image | N-[(1S)-2,2-Dimethyl-1-(2-methyl-2H-tetrazol-5-yl)propyl]-3-[2-(4-morpholinyl)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide | C21H30N8O3

N-[(1S)-2,2-Dimethyl-1-(2-methyl-2H-tetrazol-5-yl)propyl]-3-[2-(4-morpholinyl)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide

  • Molecular FormulaC21H30N8O3
  • Average mass442.515 Da
  • Monoisotopic mass442.244080 Da
  • ChemSpider ID24719773

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Benzimidazole-1-carboxamide, N-[(1S)-2,2-dimethyl-1-(2-methyl-2H-tetrazol-5-yl)propyl]-2,3-dihydro-3-[2-(4-morpholinyl)ethyl]-2-oxo- [ACD/Index Name]
N-[(1S)-2,2-Dimethyl-1-(2-methyl-2H-tetrazol-5-yl)propyl]-3-[2-(4-morpholinyl)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2,2-Dimethyl-1-(2-methyl-2H-tetrazol-5-yl)propyl]-3-[2-(4-morpholinyl)ethyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide [ACD/IUPAC Name]
N-[(1S)-2,2-Diméthyl-1-(2-méthyl-2H-tétrazol-5-yl)propyl]-3-[2-(4-morpholinyl)éthyl]-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL522553/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 120.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.06
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 95.78
Polar Surface Area: 109 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 55.5±7.0 dyne/cm
Molar Volume: 321.3±7.0 cm3

Click to predict properties on the Chemicalize site


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