1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione

C24H17N3O4S — CID 38929662

IUPAC1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17N3O4S/c28-21(27-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)27)15-26-23(30)22(29)25(24(26)31)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyPJVFGMNRAZRACE-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.81
Rot. Bonds4

About 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione

1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione (PubChem CID 38929662) has the molecular formula C24H17N3O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione
PubChem CID38929662
Molecular FormulaC24H17N3O4S
Molecular Weight443.48 g/mol
Exact Mass443.09
IUPAC Name1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H17N3O4S/c28-21(27-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)27)15-26-23(30)22(29)25(24(26)31)14-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyPJVFGMNRAZRACE-UHFFFAOYSA-N
XLogP3.81
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione (CID 38929662) is 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione is O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione?
The InChIKey is PJVFGMNRAZRACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4S/c28-21(27-17-10-4-6-12-19(17)32-20-13-7-5-11-18(20)27)15-26-23(30)22(29)25(24(26)31)14-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione?
1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione has a molecular weight of 443.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-2-phenothiazin-10-ylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 38929662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).