Basic information
- CAS
154094-90-3- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCn1ccnc1[N+](=O)[O-]- InChIKey
VALXKZQMIDSFJS-UHFFFAOYSA-N- Molecular formula
- C12H15N7O5
- Average molar mass
- 337.29 g/mol
- Monoisotopic mass
- 337.1134666
Names & identifiers
- Preferred name
- N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-(2-nitroimidazol-1-yl)propanamide
- IUPAC
- N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-(2-nitroimidazol-1-yl)propanamide
- English name
- N-[3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-2-nitro-2H-imidazol-1-y l]propanamide
- Molecular formula
- C12H15N7O5
- Molecular weight
- 337.29
Names & synonyms
154094-90-3NSC649614N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-propanamideN-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-3-(2-nitroimidazol-1-yl)propanamideCHEMBL125679DTXSID80934915NSC-649614N-[3-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)ETHYL]-2-NITRO-2H-IMIDAZOL-1-Y L]PROPANAMIDENCI60_017323{N-[2-(2-Methyl-5-nitroimidazolyl)ethyl]-3-(2-nitroimidazol-} yl)propanaimdeN-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]-3-(2-nitroimidazol-1-yl)propanamideN-[2-(2-Methyl-5-nitroimidazolyl)ethyl]-3-(2-nitroimidazol- yl)propanaimde
Show more names
1H-Imidazole-1-propanamide, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-
3-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)-N-(2-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)propanamideN-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-3-(2-nitro-1H-imidazol-1-yl)propanimidic acid
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 15.09 · 15.09±0.46(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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