ChemSpider 2D Image | [(4-Methoxy-3-methyl-2-pyridinyl)methyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]sulfoniumolate | C19H18N4O2S

[(4-Methoxy-3-methyl-2-pyridinyl)methyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]sulfoniumolate

  • Molecular FormulaC19H18N4O2S
  • Average mass366.437 Da
  • Monoisotopic mass366.115051 Da
  • ChemSpider ID34987035

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4-Methoxy-3-methyl-2-pyridinyl)methyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]sulfoniumolat [German] [ACD/IUPAC Name]
[(4-Methoxy-3-methyl-2-pyridinyl)methyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]sulfoniumolate [ACD/IUPAC Name]
[(4-Méthoxy-3-méthyl-2-pyridinyl)méthyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, hydroxy[(4-methoxy-3-methyl-2-pyridinyl)methyl][5-(1H-pyrrol-1-yl)-1H-benzimidazol-2-yl]-, inner salt [ACD/Index Name]
172152-36-2 [RN]
Ilaprazole [INN] [Wiki]
UNII-776Q6XX45J

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: 1.710
Molar Refractivity: 102.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 79 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 263.1±7.0 cm3

Click to predict properties on the Chemicalize site


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