1-Cyclopropyl-3-{(3E)-3-[5-(4-Morpholinylmethyl)-2H-Benzimidazol-2-Ylidene]-2,3-Dihydro-1H-Pyrazol-4-Yl}Urea

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Properties Simple | Detailed

Formula C19H23N7O2
IUPAC Name 1-cyclopropyl-3-[(3e)-3-[5-(morpholinomethyl)benzimidazol-2-ylidene]pyrazole-1,2-diium-4-yl]urea
Molecular Mass 381.432 g·mol−1
Heat of Formation 312.2 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 443.58 Å 3
Surface Area 406.25 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1-cyclopropyl-3-[(3e)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea
  • 1-cyclopropyl-3-[(3e)-3-[5-(morpholinomethyl)-2-benzimidazolylidene]-1,2-dihydropyrazol-4-yl]urea
  • 1-cyclopropyl-3-[(3e)-3-[5-(morpholinomethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]urea
InChIKey VRXXZJLHPWWXIX-ISLYRVAYSA-N
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