5-Indolylmethylhydantoin
Basic information
- CAS
108605-53-4- Standard SMILES
O=C1NC(=O)C(Cn2ccc3ccccc32)N1- InChIKey
KAVIACMZMOXBMP-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 5-Indolylmethylhydantoin
- IUPAC
- 5-(indol-1-ylmethyl)imidazolidine-2,4-dione
- English name
- 5-indolylmethylhydantoin
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.24
Names & synonyms
5-Indolylmethylhydantoin108605-53-45-IMHRefChem:1029485-(indol-1-ylmethyl)imidazolidine-2,4-dione5-(indolyl-3-methyl)hydantoinDTXSID709107832,4-Imidazolidinedione, 5-(1H-indol-1-ylmethyl)-4-[(1H-Indol-1-yl)methyl]-4H-imidazole-2,5-diol
Database identifiers
- CAS
108605-53-4- PubChem CID
- 130950
- DTXSID
DTXSID70910783- Nikkaji
- J2.380.406I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.10(Predicted)
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Related reactions
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Compound notes
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