5-((1H-Imidazol-4-yl)methyl)-3-propylimidazolidine-2,4-dione
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Basic information
- CAS
804435-18-5- Standard SMILES
CCCN1C(=O)NC(Cc2cnc[nH]2)C1=O- InChIKey
FFMKPTNKWSCTOK-UHFFFAOYSA-N- Molecular formula
- C10H14N4O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.1116757
Names & identifiers
- Preferred name
- 5-((1H-Imidazol-4-yl)methyl)-3-propylimidazolidine-2,4-dione
- IUPAC
- 5-(1H-imidazol-5-ylmethyl)-3-propylimidazolidine-2,4-dione
- English name
- 2,4-Imidazolidinedione,5-(1H-imidazol-4-ylmethyl)-3-propyl-(9CI)
- Molecular formula
- C10H14N4O2
- Molecular weight
- 222.24
Names & synonyms
804435-18-55-((1H-Imidazol-4-yl)methyl)-3-propylimidazolidine-2,4-dioneDB-2694452,4-IMIDAZOLIDINEDIONE, 5-(1H-IMIDAZOL-4-YLMETHYL)-3-PROPYL-2,4-Imidazolidinedione, 5-(1H-imidazol-5-ylmethyl)-3-propyl-2,4-Imidazolidinedione,5-(1H-imidazol-4-ylmethyl)-3-propyl-(9CI)
Database identifiers
- CAS
804435-18-5- PubChem CID
- 45093690
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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