ChemSpider 2D Image | Methyl {1-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-4-piperidinyl}carbamate | C28H31ClN6O4

Methyl {1-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-4-piperidinyl}carbamate

  • Molecular FormulaC28H31ClN6O4
  • Average mass551.036 Da
  • Monoisotopic mass550.209534 Da
  • ChemSpider ID23342037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{1-[2-(4-{[(2S)-2-(3-Chlorophényl)-2-hydroxyéthyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-méthyl-1H-benzimidazol-6-yl]-4-pipéridinyl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1-[2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1,2-dihydro-2-oxo-3-pyridinyl]-4-methyl-1H-benzimidazol-6-yl]-4-piperidinyl]-, methyl ester [ACD/Index Name]
Methyl {1-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-4-piperidinyl}carbamate [ACD/IUPAC Name]
Methyl-{1-[2-(4-{[(2S)-2-(3-chlorphenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydro-3-pyridinyl)-4-methyl-1H-benzimidazol-6-yl]-4-piperidinyl}carbamat [German] [ACD/IUPAC Name]
(S)-methyl 1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-7-methyl-3H-benzo[d]imidazol-5-yl)piperidin-4-ylcarbamate
CHEMBL521271
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521271/
methyl {1-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-benzimidazol-6-yl]piperidin-4-yl}carbamate
methyl N-{1-[2-(4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-1,3-benzodiazol-6-yl]piperidin-4-yl}carbamate

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: 1.698
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 46.84
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 36.08
ACD/KOC (pH 7.4): 421.17
Polar Surface Area: 132 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 75.8±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

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