5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

C14H22N2OS — CID 83242674

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1ccc(C)s1
InChIInChI=1S/C14H22N2OS/c1-5-11(6-2)16-13(15-10(4)14(16)17)12-8-7-9(3)18-12/h7-8,10-11,13,15H,5-6H2,1-4H3
InChIKeyGVPDJNSUYGPSJH-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.06
Rot. Bonds4

About 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one

5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (PubChem CID 83242674) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
PubChem CID83242674
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1ccc(C)s1
InChIInChI=1S/C14H22N2OS/c1-5-11(6-2)16-13(15-10(4)14(16)17)12-8-7-9(3)18-12/h7-8,10-11,13,15H,5-6H2,1-4H3
InChIKeyGVPDJNSUYGPSJH-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one (CID 83242674) is 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is CCC(CC)N1C(=O)C(C)NC1c1ccc(C)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
The InChIKey is GVPDJNSUYGPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-11(6-2)16-13(15-10(4)14(16)17)12-8-7-9(3)18-12/h7-8,10-11,13,15H,5-6H2,1-4H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one?
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one has a molecular weight of 266.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one is sourced from PubChem (CID 83242674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).