Basic information
- CAS
21753-16-2- Standard SMILES
O=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1- InChIKey
RUUREKIGAKIKIL-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.08512659
Names & identifiers
- Preferred name
- 5-(1h-Indol-3-ylmethyl)imidazolidine-2,4-dione
- IUPAC
- 5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
- English name
- 5-(1H-Indol-3-ylmethyl)imidazolidine-2,4-dione
- Molecular formula
- C12H11N3O2
- Molecular weight
- 229.24
Names & synonyms
21753-16-25-(1h-indol-3-ylmethyl)imidazolidine-2,4-dioneDTXSID80287630RefChem:299279DTXCID302387785-((1H-Indol-3-yl)methyl)imidazolidine-2,4-dione5-[(1H-indol-3-yl)methyl]imidazolidine-2,4-dionedl-5-indolylmethylhydantoinNSC51848Tadalafil Impurity N27Oprea1_265789MLS001193312
Show more names
Tadalafil Impurity 63Tadalafil Impurity 109Tryptophan Impurity 462,4-Imidazolidinedione, 5-(1H-indol-3-ylmethyl)-
5-(3-Indolymethyl)handantoinSCHEMBL8385195-(3-indolylmethyl)-hydantoin5-(indol-3-ylmethyl)hydantoinCHEMBL198830RUUREKIGAKIKIL-UHFFFAOYSA-N5-[(Indol-3-yl)methyl]hydantoinHMS2896H07
Database identifiers
- CAS
21753-16-2- PubChem CID
- 242867
- DTXSID
DTXSID80287630- ChEMBL
CHEMBL198830- Nikkaji
- J26.610H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
Solubility>34.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 218 °C · 218 °C
- Density
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- 8.88 · 8.88±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesDL-5-Indolylmethylhydantoin can be used as a substrate for the enzymatic production of L-tryptophan in some specific bacteria[1].
Suppliers33 total
济南百隆化学有限公司[email protected] · [email protected]
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Related reactions
5 records
Compound notes
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