1H-Benzimidazole, 4,6-dinitro-5-(4-morpholinyl)-
Basic information
- CAS
72766-31-5- Standard SMILES
O=[N+]([O-])c1cc2[nH]cnc2c([N+](=O)[O-])c1N1CCOCC1- InChIKey
UMAUSWQKGROCQW-UHFFFAOYSA-N- Molecular formula
- C11H11N5O5
- Average molar mass
- 293.24 g/mol
- Monoisotopic mass
- 293.07601847
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 4,6-dinitro-5-(4-morpholinyl)-
- IUPAC
- 4-(4,6-dinitro-1H-benzimidazol-5-yl)morpholine
Names & synonyms
72766-31-51H-Benzimidazole, 4,6-dinitro-5-(4-morpholinyl)-BRN 11676614,6-Dinitro-5-(4-morpholinyl)-1H-benzimidazoleDTXSID60223091NSC 291087RefChem:237534DTXCID60145582NSC291087NSC-2910875-(Morpholin-4-yl)-4,6-dinitro-1H-1,3-benzimidazole
Database identifiers
- CAS
72766-31-5- PubChem CID
- 100358
- DTXSID
DTXSID60223091
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
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Compound notes
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