5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one

C13H20N2OS — CID 83242684

IUPAC5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-4-10(5-2)15-12(11-7-6-8-17-11)14-9(3)13(15)16/h6-10,12,14H,4-5H2,1-3H3
InChIKeySEVCDMSDBPCIDG-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.76
Rot. Bonds4

About 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one

5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83242684) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83242684
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(CC)N1C(=O)C(C)NC1c1cccs1
InChIInChI=1S/C13H20N2OS/c1-4-10(5-2)15-12(11-7-6-8-17-11)14-9(3)13(15)16/h6-10,12,14H,4-5H2,1-3H3
InChIKeySEVCDMSDBPCIDG-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)propan-2-yl]-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83260443
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83264067
5-methyl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83244038
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83245275
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-cyclopentyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83243098
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 83224947
2-(2-methoxyphenyl)-5-methyl-3-pentan-3-ylimidazolidin-4-one
CID 83242516
5-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83249841
3-(2-cyclohexylethyl)-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83256694
3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83242684) is 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one is CCC(CC)N1C(=O)C(C)NC1c1cccs1.
What is the InChIKey of 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is SEVCDMSDBPCIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-4-10(5-2)15-12(11-7-6-8-17-11)14-9(3)13(15)16/h6-10,12,14H,4-5H2,1-3H3.
What are the key properties of 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one?
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83242684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).