3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

C14H18N2OS — CID 83254980

IUPAC3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2C2CCC2)cc1
InChIInChI=1S/C14H18N2OS/c1-18-12-7-5-10(6-8-12)14-15-9-13(17)16(14)11-3-2-4-11/h5-8,11,14-15H,2-4,9H2,1H3
InChIKeyOLLFYIQZQDILSL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.39
Rot. Bonds3

About 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one

3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (PubChem CID 83254980) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
PubChem CID83254980
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
SMILESCSc1ccc(C2NCC(=O)N2C2CCC2)cc1
InChIInChI=1S/C14H18N2OS/c1-18-12-7-5-10(6-8-12)14-15-9-13(17)16(14)11-3-2-4-11/h5-8,11,14-15H,2-4,9H2,1H3
InChIKeyOLLFYIQZQDILSL-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one (CID 83254980) is 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is CSc1ccc(C2NCC(=O)N2C2CCC2)cc1.
What is the InChIKey of 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
The InChIKey is OLLFYIQZQDILSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-18-12-7-5-10(6-8-12)14-15-9-13(17)16(14)11-3-2-4-11/h5-8,11,14-15H,2-4,9H2,1H3.
What are the key properties of 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one?
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one has a molecular weight of 262.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83254980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).