3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one

C15H22N2OS — CID 83239609

IUPAC3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1ccc(SC)cc1
InChIInChI=1S/C15H22N2OS/c1-5-17-14(16-13(10(2)3)15(17)18)11-6-8-12(19-4)9-7-11/h6-10,13-14,16H,5H2,1-4H3
InChIKeyUZNQKCIKECXBJR-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.88
Rot. Bonds4

About 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one

3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83239609) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83239609
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one
SMILESCCN1C(=O)C(C(C)C)NC1c1ccc(SC)cc1
InChIInChI=1S/C15H22N2OS/c1-5-17-14(16-13(10(2)3)15(17)18)11-6-8-12(19-4)9-7-11/h6-10,13-14,16H,5H2,1-4H3
InChIKeyUZNQKCIKECXBJR-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one (CID 83239609) is 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one is CCN1C(=O)C(C(C)C)NC1c1ccc(SC)cc1.
What is the InChIKey of 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is UZNQKCIKECXBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-5-17-14(16-13(10(2)3)15(17)18)11-6-8-12(19-4)9-7-11/h6-10,13-14,16H,5H2,1-4H3.
What are the key properties of 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one?
3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 278.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-methylsulfanylphenyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83239609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).