Basic information
- CAS
28997-31-1- Standard SMILES
Cc1ncc([N+](=O)[O-])n1CCN1C(=O)c2ccccc2C1=O- InChIKey
JIYZWSLKPBBNTE-UHFFFAOYSA-N- Molecular formula
- C14H12N4O4
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.08585486
Names & identifiers
- Preferred name
- N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimide
- IUPAC
- 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dione
- English name
- N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]phthalimide
- Molecular formula
- C14H12N4O4
- Molecular weight
- 300.27
Names & synonyms
28997-31-12-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-1H-isoindole-1,3(2H)-dioneN-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)phthalimideEINECS 249-362-32-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]isoindole-1,3-dioneMLS001216628CHEMBL1393951SCHEMBL11859387DTXSID20183187HMS2883I17STK796246AKOS003667918
Show more names
N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]phthalimide1H-Isoindole-1,3(2H)-dione, 2-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-
NCGC00246342-01SMR000544090NS00028596N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]phthalimide2-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)isoindoline-1,3-dione
Database identifiers
- CAS
28997-31-1- PubChem CID
- 120116
- DTXSID
DTXSID20183187- ChEMBL
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 468
Experimental & physicochemical properties
Solubility44.3 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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