ChemSpider 2D Image | 2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(4-morpholinyl)propyl]-1H-benzimidazole | C28H33ClN4O3

2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(4-morpholinyl)propyl]-1H-benzimidazole

  • Molecular FormulaC28H33ClN4O3
  • Average mass509.040 Da
  • Monoisotopic mass508.224121 Da
  • ChemSpider ID30922961

More details:

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

1H-Benzimidazole, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-4-isoxazolyl)-1-[2-(4-morpholinyl)propyl]- [ACD/Index Name]
2-[2-(3-Chlor-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(4-morpholinyl)propyl]-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(4-morpholinyl)propyl]-1H-benzimidazole [ACD/IUPAC Name]
2-[2-(3-Chloro-4-méthoxyphényl)éthyl]-5-(3,5-diméthyl-1,2-oxazol-4-yl)-1-[2-(4-morpholinyl)propyl]-1H-benzimidazole [French] [ACD/IUPAC Name]
1613695-14-9 [RN]
4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine
MFCD26792586
SGC-CBP30
SGCCBP30,SGC CBP30

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 140.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 213.07
ACD/KOC (pH 5.5): 591.30
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5229.72
ACD/KOC (pH 7.4): 14513.01
Polar Surface Area: 66 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 396.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement