Basic information
- CAS
150445-96-8- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)nc(C=NOCc1ccccc1[N+](=O)[O-])n2Cc1ccccc1- InChIKey
YWGSBSVPTXREKR-UHFFFAOYSA-N- Molecular formula
- C22H17N5O5
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.12296866
Names & identifiers
- Preferred name
- 5-Nitro-1-(phenylmethyl)-1H-benzimidazole-2-carboxaldehyde O-((2-nitrophenyl)methyl)oxime
- IUPAC
- 1-(1-benzyl-5-nitrobenzimidazol-2-yl)-N-[(2-nitrophenyl)methoxy]methanimine
Names & synonyms
DTXSID9010307765-Nitro-1-(phenylmethyl)-1H-benzimidazole-2-carboxaldehyde O-((2-nitrophenyl)methyl)oxime
Database identifiers
- CAS
150445-96-8- PubChem CID
- 154642
- DTXSID
DTXSID901030776
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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