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

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Related Compounds

1-[3-(quinoxalin-2-ylsulfanyl)propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 663298
N,N-dimethyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3749686
1-(2-Pyridin-2-ylsulfanylacetyl)imidazolidin-2-one
CID 16299129
N-cyclopentyl-2-(quinoxalin-2-ylsulfanyl)acetamide
CID 2359872
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 35502144
N-(ethylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470251
N-(cyclopropylcarbamoyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 36470979
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-3-ylcarbamoyl)acetamide
CID 118418579
N-[methyl(phenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418581
2-(3-methylquinoxalin-2-yl)sulfanyl-N-(pyridin-2-ylcarbamoyl)acetamide
CID 118418590
N-methyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3354384
N-[(2-fluorophenyl)carbamoyl]-2-quinoxalin-2-ylsulfanylacetamide
CID 34906102

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).