Grundinformationen
- Standard-SMILES
O=C1NC(=O)C(Cc2c[nH]c3ccccc23)N1- InChIKey
RUUREKIGAKIKIL-UHFFFAOYSA-N- Summenformel
- C12H11N3O2
- Durchschnittliche Molmasse
- 229,23 g/mol
- Monoisotopische Masse
- 229,08512659
Namen und Bezeichner
- Bevorzugter Name
- 5-(1h-Indol-3-ylmethyl)imidazolidine-2,4-dione
- IUPAC
- 5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
- Englischer Name
- 5-(1H-Indol-3-ylmethyl)imidazolidine-2,4-dione
- Summenformel
- C12H11N3O2
- Molmasse
- 229.24
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
21753-16-2- PubChem CID
- 242867
- DTXSID
DTXSID80287630- ChEMBL
CHEMBL198830- Nikkaji
- J26.610H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 74 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 345
Experimentelle und physikochemische Eigenschaften
Solubility>34.4 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 218 °C · 218 °C
- Dichte
- 1.393 · 1.393±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- pka
- 8.88 · 8.88±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Chemie und Industrie
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