Basic information
- CAS
72766-34-8- Standard SMILES
O=[N+]([O-])c1cc2[nH]cnc2c([N+](=O)[O-])c1N1CCCCC1- InChIKey
XEWWSPAPMXFROU-UHFFFAOYSA-N- Molecular formula
- C12H13N5O4
- Average molar mass
- 291.26 g/mol
- Monoisotopic mass
- 291.09675391
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 4,6-dinitro-5-(1-piperidinyl)-
- IUPAC
- 4,6-dinitro-5-piperidin-1-yl-1H-benzimidazole
Names & synonyms
1H-Benzimidazole, 4,6-dinitro-5-(1-piperidinyl)-72766-34-8BRN 09347364,6-Dinitro-5-(1-piperidinyl)-1H-benzimidazoleDTXSID40223094NSC 291088RefChem:237532DTXCID40145585NSC291088NSC-2910884,6-Dinitro-5-(piperidin-1-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
72766-34-8- PubChem CID
- 100359
- DTXSID
DTXSID40223094
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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