Completing data — usually done within a minute
Basic information
- CAS
65611-53-2- Standard SMILES
CCOC(=O)c1nc(C)[nH]c1C(=O)OCC- InChIKey
YJQMMRDTIAPJRX-UHFFFAOYSA-N- Molecular formula
- C10H14N2O4
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.09535693
Names & identifiers
- Preferred name
- ST4058398
- IUPAC
- diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate
Names & synonyms
65611-53-2ST4058398DTXSID00349567RefChem:381517DTXCID40300637diethyl 2-methyl-1H-imidazole-4,5-dicarboxylate2-Methyl-1H-imidazole-4,5-dicarboxylic acid diethyl esterMFCD015406351H-Imidazole-4,5-dicarboxylic acid, 2-methyl-, diethyl esterethyl 5-(ethoxycarbonyl)-2-methylimidazole-4-carboxylateSCHEMBL7885220CHEMBL1622705
Show more names
YJQMMRDTIAPJRX-UHFFFAOYSA-N4,5-DIETHYL 2-METHYL-1H-IMIDAZOLE-4,5-DICARBOXYLATEHMS5090I19ALBB-035792STK333162AKOS000732405NCGC00073328-02ST037464
Database identifiers
- CAS
65611-53-2- PubChem CID
- 653376
- DTXSID
DTXSID00349567- ChEMBL
CHEMBL1622705
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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