3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

C16H24N2OS — CID 83238950

IUPAC3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(SC)cc2)N(C(C)CC)C1=O
InChIInChI=1S/C16H24N2OS/c1-5-11(3)18-15(17-14(6-2)16(18)19)12-7-9-13(20-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeySIPWKPRMWLDOQM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.42
Rot. Bonds5

About 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (PubChem CID 83238950) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
PubChem CID83238950
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(SC)cc2)N(C(C)CC)C1=O
InChIInChI=1S/C16H24N2OS/c1-5-11(3)18-15(17-14(6-2)16(18)19)12-7-9-13(20-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeySIPWKPRMWLDOQM-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (CID 83238950) is 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is CCC1NC(c2ccc(SC)cc2)N(C(C)CC)C1=O.
What is the InChIKey of 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The InChIKey is SIPWKPRMWLDOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-5-11(3)18-15(17-14(6-2)16(18)19)12-7-9-13(20-4)10-8-12/h7-11,14-15,17H,5-6H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-ethyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83238950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).