4-{[4-({[(3-Isopropyl-2-Oxo-2,3-Dihydro-1H-Benzimidazol-1-Yl)Carbonyl]Amino}Methyl)-1-Piperidinyl]Methyl}Tetrahydro-2H-Pyran-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C24H34N4O5
IUPAC Name 4-[[4-[[(3-isopropyl-2-oxo-benzimidazole-1,3-diium-1-carbonyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid
Molecular Mass 458.551 g·mol−1
Heat of Formation -902.7 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 552.54 Å 3
Surface Area 453.86 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[4-[[(2-oxo-3-propan-2-yl-benzimidazol-1-yl)carbonylamino]methyl]piperidin-1-yl]methyl]oxane-4-carboxylic acid
  • 4-[[4-[[(3-isopropyl-2-keto-benzimidazole-1-carbonyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid
  • 4-[[4-[[(3-isopropyl-2-oxo-benzimidazole-1-carbonyl)amino]methyl]-1-piperidyl]methyl]tetrahydropyran-4-carboxylic acid
  • 4-[[4-[[[(3-isopropyl-2-oxo-1-benzimidazolyl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]-4-tetrahydropyrancarboxylic acid
InChIKey PCDRKSCASYEJSM-UHFFFAOYSA-N
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