5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one

C16H24N2OS2 — CID 83263835

IUPAC5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSCC(C)CN1C(=O)C(C)NC1c1ccc(SC)cc1
InChIInChI=1S/C16H24N2OS2/c1-11(10-20-3)9-18-15(17-12(2)16(18)19)13-5-7-14(21-4)8-6-13/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyNDYURYFHJVCFOM-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.23
Rot. Bonds6

About 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one

5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one (PubChem CID 83263835) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one
PubChem CID83263835
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC Name5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSCC(C)CN1C(=O)C(C)NC1c1ccc(SC)cc1
InChIInChI=1S/C16H24N2OS2/c1-11(10-20-3)9-18-15(17-12(2)16(18)19)13-5-7-14(21-4)8-6-13/h5-8,11-12,15,17H,9-10H2,1-4H3
InChIKeyNDYURYFHJVCFOM-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The IUPAC name of 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one (CID 83263835) is 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The canonical SMILES for 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one is CSCC(C)CN1C(=O)C(C)NC1c1ccc(SC)cc1.
What is the InChIKey of 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The InChIKey is NDYURYFHJVCFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-11(10-20-3)9-18-15(17-12(2)16(18)19)13-5-7-14(21-4)8-6-13/h5-8,11-12,15,17H,9-10H2,1-4H3.
What are the key properties of 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one has a molecular weight of 324.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-3-methylsulfanylpropyl)-2-(4-methylsulfanylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83263835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).