1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one

C13H12N4O2S — CID 34906113

IUPAC1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one
SMILESO=C(CSc1cnc2ccccc2n1)N1CCNC1=O
InChIInChI=1S/C13H12N4O2S/c18-12(17-6-5-14-13(17)19)8-20-11-7-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,8H2,(H,14,19)
InChIKeyPAMMPTVVELCSAE-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one

1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one (PubChem CID 34906113) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one
PubChem CID34906113
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one
SMILESO=C(CSc1cnc2ccccc2n1)N1CCNC1=O
InChIInChI=1S/C13H12N4O2S/c18-12(17-6-5-14-13(17)19)8-20-11-7-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,8H2,(H,14,19)
InChIKeyPAMMPTVVELCSAE-UHFFFAOYSA-N
XLogP1.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one?
The IUPAC name of 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one (CID 34906113) is 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one is O=C(CSc1cnc2ccccc2n1)N1CCNC1=O.
What is the InChIKey of 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one?
The InChIKey is PAMMPTVVELCSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-12(17-6-5-14-13(17)19)8-20-11-7-15-9-3-1-2-4-10(9)16-11/h1-4,7H,5-6,8H2,(H,14,19).
What are the key properties of 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one?
1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one has a molecular weight of 288.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-quinoxalin-2-ylsulfanylacetyl)imidazolidin-2-one is sourced from PubChem (CID 34906113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).