Methyl [5-(4-Oxo-3,4-Dihydro-1-Phthalazinyl)-1H-Benzimidazol-2-Yl]Carbamate

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Properties Simple | Detailed

Formula C17H13N5O3
IUPAC Name methyl n-[5-(4-oxophthalazin-1-yl)benzimidazol-2-yl]carbamate
Molecular Mass 335.317 g·mol−1
Heat of Formation -31.2 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 367.08 Å 3
Surface Area 338.33 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester
  • 5-pbic
  • carbamic acid, (5-(3,4-dihydro-4-oxo-1-phtalazinyl)-1h-benzimidazol-2-yl)-, methyl ester
  • cbdive_005348
  • methyl (5-(3,4-dihydro-4-oxo-1-phtalazinyl)-1h-benzimidazol-2-yl)carbamate
  • methyl n-[6-(4-oxo-3h-phthalazin-1-yl)-1h-benzimidazol-2-yl]carbamate
  • n-[6-(4-keto-3h-phthalazin-1-yl)-1h-benzimidazol-2-yl]carbamic acid methyl ester
  • n-[6-(4-oxo-3h-phthalazin-1-yl)-1h-benzimidazol-2-yl]carbamic acid methyl ester
  • sr-01000197683-2
CAS Number(s)
  • 138525-71-0
InChIKey RUTAYAFBXACDGP-UHFFFAOYSA-N
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