Basic information
- CAS
154094-92-5- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCCn1ccnc1[N+](=O)[O-]- InChIKey
QRJAWFYCJLNBRT-UHFFFAOYSA-N- Molecular formula
- C14H19N7O5
- Average molar mass
- 365.34 g/mol
- Monoisotopic mass
- 365.14476673
Names & identifiers
- Preferred name
- N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-pentanamide
- IUPAC
- N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-(2-nitroimidazol-1-yl)pentanamide
Names & synonyms
154094-92-5NSC642501N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-pentanamideCHEMBL338467DTXSID00934917NSC-642501N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5-(2-nitro-1H-imidazol-1-yl)pentanamideNCI60_014351N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-5-(2-nitroimidazol-1-yl)pentanamideN-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5-(2-nitro-1H-imidazol-1-yl)pentanimidic acid
Database identifiers
- CAS
154094-92-5- PubChem CID
- 369983
- DTXSID
DTXSID00934917- ChEMBL
CHEMBL338467- Nikkaji
- J578.211B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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