Desmethyletimizol
Basic information
- CAS
85275-59-8- Standard SMILES
CCn1cnc(C(N)=O)c1C(=O)NC- InChIKey
HMGGQLSRJXFGRN-UHFFFAOYSA-N- Molecular formula
- C8H12N4O2
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.09602564
Overview
metabolite of etimizol; structure given in first source
Names & identifiers
- Preferred name
- Desmethyletimizol
- IUPAC
- 1-ethyl-5-N-methylimidazole-4,5-dicarboxamide
- English name
- desmethyletimizol
- Molecular formula
- C8H12N4O2
- Molecular weight
- 196.20648
Names & synonyms
Desmethyletimizol85275-59-81-Ethyl-4-carbamoyl-5-methylcarbamoylimidazoleDTXSID00234469RefChem:132233DTXCID501569601-ethyl-n5-methyl-1h-imidazole-4,5-dicarboxamideBRN 55270271-Ethyl-N(sup 5)-methyl-1H-imidazole-4,5-dicarboxamide1H-Imidazole-4,5-dicarboxamide, 1-ethyl-N(sup 5)-methyl-IEM15121-Ethyl-N~5~-methyl-1H-imidazole-4,5-dicarboxamide
Database identifiers
- CAS
85275-59-8- PubChem CID
- 130883
- DTXSID
DTXSID00234469
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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