Basic information
- CAS
3691-03-0- Standard SMILES
CNC(=O)c1nc[nH]c1C(=O)NC- InChIKey
FDMDLNWXKUUKOU-UHFFFAOYSA-N- Molecular formula
- C7H10N4O2
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.08037557
Names & identifiers
- Preferred name
- N4,N5-Dimethyl-1H-imidazole-4,5-dicarboxamide
- IUPAC
- 4-N,5-N-dimethyl-1H-imidazole-4,5-dicarboxamide
- English name
- 1H-IMIDAZOLE-4,5-DICARBOXYLIC ACID BIS-METHYLAMIDE
- Molecular formula
- C9H14N4O2
- Molecular weight
- 0
Names & synonyms
3691-03-01H-Imidazole-4,5-dicarboxamide, N,N'-dimethyl-DTXSID70190386N4,N5-DIMETHYL-1H-IMIDAZOLE-4,5-DICARBOXAMIDERefChem:1092208DTXCID80112877Norantifeine1H-Imidazole-4,5-dicarboxylic acid bis-methylamideNorantiffeinIEM 163BRN 0518038N,N'-Dimethylimidazole-4,5-dicarboxamide
Show more names
4-N,5-N-dimethyl-1H-imidazole-4,5-dicarboxamide
Oprea1_036018Oprea1_5622415-25-05-00346 (Beilstein Handbook Reference)MLS000523673CHEMBL1350173SCHEMBL26015672HMS2376K20NSC529289
Database identifiers
- CAS
3691-03-0- PubChem CID
- 101504
- DTXSID
DTXSID70190386- ChEMBL
CHEMBL1350173- Nikkaji
- J1.843.719H
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 339mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 339mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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