1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one

C13H16N2O2S — CID 27195442

IUPAC1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCc1ccc(SCC(=O)N2CCNC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-3-4-11(10(2)7-9)18-8-12(16)15-6-5-14-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeySIAFMMTYBYYNOG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one

1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 27195442) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one
PubChem CID27195442
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one
SMILESCc1ccc(SCC(=O)N2CCNC2=O)c(C)c1
InChIInChI=1S/C13H16N2O2S/c1-9-3-4-11(10(2)7-9)18-8-12(16)15-6-5-14-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKeySIAFMMTYBYYNOG-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 2616380
N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 16196257
5,5-Dimethyl-3-{2-[(4-methylphenyl)thio]ethyl}-2,4-imidazolidinedione
CID 973322
N-(cyclopentylcarbamoyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2616369
2-(2,4-dimethylphenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2616328
Acetamide, N-(2-(dimethylamino)ethyl)-2-((4-methylphenyl)thio)-, monohydrochloride
CID 215517
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2088404
5,5-Dimethyl-3-{4-[(4-methylphenyl)thio]butyl}-2,4-imidazolidinedione
CID 2216630
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407
N-(methylcarbamoyl)-3-(2-methylphenyl)sulfanylpropanamide
CID 47477226
N-[2-(dimethylamino)ethyl]-2-[(4-methylphenyl)sulfanyl]acetamide
CID 215518
2-(2,4-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2080639

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one (CID 27195442) is 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one is Cc1ccc(SCC(=O)N2CCNC2=O)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is SIAFMMTYBYYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-3-4-11(10(2)7-9)18-8-12(16)15-6-5-14-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 27195442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).