(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
Basic information
- CAS
10040-91-2- Standard SMILES
COc1ccc(/C=C2\NC(=O)NC2=O)cc1OC- InChIKey
NKQBXYVAZTZVMV-YVMONPNESA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- (5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione
- IUPAC
- (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
- English name
- 5-(3,4-Dimethoxybenzylidene)hydantoin
- Molecular formula
- C12H12N2O4
- Molecular weight
- 248.23
Names & synonyms
140894-76-4DTXSID301177972(5Z)-5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione(5Z)-5-[(3,4-Dimethoxyphenyl)methylene]-2,4-imidazolidinedioneRefChem:1050632DTXCID601609332Hydantoin, 5-(3,4-dimethoxybenzylidene)-5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-imidazolidine-2,4-dione10040-91-2(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione5-((3,4-Dimethoxyphenyl)methylene)-2,4-imidazolidinedione5-(3,4-dimethoxybenzylidene)-hydantoin
Show more names
Hydantoin Impurity 7Hydantoin Impurity 255-(3,4-Dimethoxybenzylidene)hydantoin5-[(3,4-Dimethoxyphenyl)methylene]-2,4-imidazolidinedione2,4-Imidazolidinedione, 5-[(3,4-dimethoxyphenyl)methylene]-
2,4-Imidazolidinedione, 5-((3,4-dimethoxyphenyl)methylene)-CHEMBL567336SCHEMBL3125849AKOS002952637AG-690/09405035SR-01000195282SR-01000195282-1(5Z)-5-(3,4-dimethoxybenzylidene)-2,4-imidazolidinedione
Database identifiers
- CAS
10040-91-2、140894-76-4- PubChem CID
- 2189796
- DTXSID
DTXSID301177972- ChEMBL
CHEMBL567336- EC Number
- 925-451-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Melting point
- 204 · 204-206 °C
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- pka
- 9.06 · 9.06±0.20(Predicted)
Chemistry & industry
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