Basic information
- CAS
825619-31-6- Standard SMILES
COc1cc2nc(-c3n[nH]cc3[N+](=O)[O-])[nH]c2cc1OC- InChIKey
IEUBZTFQOFSGPI-UHFFFAOYSA-N- Molecular formula
- C12H11N5O4
- Average molar mass
- 289.25 g/mol
- Monoisotopic mass
- 289.08110385
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-2-(4-nitro-1,2-dihydro-3H-pyrazol-3-ylidene)-2H-benzimidazole
- IUPAC
- 5,6-dimethoxy-2-(4-nitro-1H-pyrazol-5-yl)-1H-benzimidazole
Names & synonyms
825619-31-6SCHEMBL546457DTXSID50731099IEUBZTFQOFSGPI-UHFFFAOYSA-N5,6-Dimethoxy-2-(4-nitro-1,2-dihydro-3H-pyrazol-3-ylidene)-2H-benzimidazoleDB-0880085,6-dimethoxy-2-(4-nitro-1H-pyrazol-3-yl)-1H-benzimidazol5,6-dimethoxy-2-(4-nitro-1H-pyrazol-3-yl)-1H-benzimidazole5,6-Dimethoxy-2-(4-nitro-1,2-dihydro-3H-pyrazol-3-ylidene)-2H-1,3-benzimidazole
Database identifiers
- CAS
825619-31-6- PubChem CID
- 136163291
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 392
Related reactions
8 records
Compound notes
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