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

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Formula C23H32N4O4
IUPAC Name 1-[[4-[[(3-isopropyl-2-oxo-benzimidazole-1,3-diium-1-carbonyl)amino]methyl]-1-piperidyl]methyl]cyclobutanecarboxylic acid
Molecular Mass 428.525 g·mol−1
Heat of Formation -677.3 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 526.13 Å 3
Surface Area 440.82 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 2.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[4-[[(2-oxo-3-propan-2-yl-benzimidazol-1-yl)carbonylamino]methyl]piperidin-1-yl]methyl]cyclobutane-1-carboxylic acid
  • 1-[[4-[[(3-isopropyl-2-keto-benzimidazole-1-carbonyl)amino]methyl]-1-piperidyl]methyl]cyclobutane-1-carboxylic acid
  • 1-[[4-[[(3-isopropyl-2-oxo-benzimidazole-1-carbonyl)amino]methyl]-1-piperidyl]methyl]cyclobutane-1-carboxylic acid
  • 1-[[4-[[[(3-isopropyl-2-oxo-1-benzimidazolyl)-oxomethyl]amino]methyl]-1-piperidinyl]methyl]-1-cyclobutanecarboxylic acid
InChIKey PNURFGPXCDPKGS-UHFFFAOYSA-N
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