5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one

C16H24N2OS — CID 83258190

IUPAC5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CCSC)C1=O
InChIInChI=1S/C16H24N2OS/c1-3-4-10-14-16(19)18(11-12-20-2)15(17-14)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3
InChIKeyMFBAEGWRUNLXRJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.04
Rot. Bonds7

About 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one

5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one (PubChem CID 83258190) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
PubChem CID83258190
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CCSC)C1=O
InChIInChI=1S/C16H24N2OS/c1-3-4-10-14-16(19)18(11-12-20-2)15(17-14)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3
InChIKeyMFBAEGWRUNLXRJ-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one (CID 83258190) is 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one is CCCCC1NC(c2ccccc2)N(CCSC)C1=O.
What is the InChIKey of 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one?
The InChIKey is MFBAEGWRUNLXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-4-10-14-16(19)18(11-12-20-2)15(17-14)13-8-6-5-7-9-13/h5-9,14-15,17H,3-4,10-12H2,1-2H3.
What are the key properties of 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one?
5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(2-methylsulfanylethyl)-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83258190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).