1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)Amino]-1H-Benzimidazol-5-Yl Pivalate

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Properties Simple | Detailed

Formula C22H24N4O6
IUPAC Name [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-1-ium-5-yl] 2,2-dimethylpropanoate
Molecular Mass 440.449 g·mol−1
Heat of Formation -510.1 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 513.78 Å 3
Surface Area 431.91 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.31 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [1-(3-hydroxypropyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-benzimidazolyl] ester
  • 2,2-dimethylpropionic acid [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] ester
  • [1-(3-hydroxypropyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate
  • [1-(3-hydroxypropyl)-2-[(3-nitrophenyl)carbonylamino]benzimidazol-5-yl] 2,2-dimethylpropanoate
InChIKey CEAYRKIZESVQSN-UHFFFAOYSA-N
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