Basic information
- CAS
10040-91-2- Standard SMILES
COc1ccc(C=C2NC(=O)NC2=O)cc1OC- InChIKey
NKQBXYVAZTZVMV-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- 5-[(3,4-Dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
- IUPAC
- 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
CHEMBL1398995-(3,4-dimethoxybenzylidene)-hydantoin5-(3',4'-dimethoxybenzal) hydantoinHydantoin Impurity 335-[(3,4-Dimethoxyphenyl)methylene]-2,4-imidazolidinedioneSCHEMBL3125853NKQBXYVAZTZVMV-UHFFFAOYSA-N5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dioneDTXSID201195682BDBM501158105-(3,4-dimethoxybenzylidene)hydantoin5-(3,4-dimethoxybenzylidene) -hydantoin
Show more names
Hydantoin Impurity 7Hydantoin Impurity 252,4-Imidazolidinedione, 5-[(3,4-dimethoxyphenyl)methylene]-
Database identifiers
- CAS
10040-91-2- PubChem CID
- 165798
- DTXSID
DTXSID201195682- ChEMBL
CHEMBL139899
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
Upstream & downstream products
Downstream products
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
16 records
Compound notes
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