Basic information
- CAS
154094-87-8- Standard SMILES
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1[N+](=O)[O-]- InChIKey
AEBYPBAGOZEPBI-UHFFFAOYSA-N- Molecular formula
- C12H15N7O5
- Average molar mass
- 337.29 g/mol
- Monoisotopic mass
- 337.1134666
Names & identifiers
- Preferred name
- 2-Nitro-N-(2-(2-nitro-1H-imidazol-1-yl)ethyl)-1H-imidazole-1-butanamide
- IUPAC
- 4-(2-nitroimidazol-1-yl)-N-[2-(2-nitroimidazol-1-yl)ethyl]butanamide
Names & synonyms
NSC649613154094-87-82-Nitro-N-(2-(2-nitro-1H-imidazol-1-yl)ethyl)-1H-imidazole-1-butanamideCHEMBL434243DTXSID009349124-(2-nitroimidazol-1-yl)-N-[2-(2-nitroimidazol-1-yl)ethyl]butanamideNSC-649613NCI60_017322N-[2-(2-Nitroimidaozlyl)ethyl]-4-(2-nitroimidazolyl)butamide{N-[2-(2-Nitroimidaozlyl)ethyl]-4-(2-nitroimidazolyl)butamide}4-(2-Nitro-1H-imidazol-1-yl)-N-[2-(2-nitro-1H-imidazol-1-yl)ethyl]butanimidic acid4-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)-N-(2-(2-(hydroxy(oxido)amino)-1H-imidazol-1-yl)ethyl)butanamide
Database identifiers
- CAS
154094-87-8- PubChem CID
- 373386
- DTXSID
DTXSID00934912- ChEMBL
CHEMBL434243- Nikkaji
- J578.207D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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