3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

C16H26N2OS — CID 83245275

IUPAC3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C(C)N1C(=O)C(C(C)C)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-6-11(4)12(5)18-15(13-8-7-9-20-13)17-14(10(2)3)16(18)19/h7-12,14-15,17H,6H2,1-5H3
InChIKeyIDHKQBUEQAFMFA-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.64
Rot. Bonds5

About 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one

3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83245275) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83245275
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC(C)C(C)N1C(=O)C(C(C)C)NC1c1cccs1
InChIInChI=1S/C16H26N2OS/c1-6-11(4)12(5)18-15(13-8-7-9-20-13)17-14(10(2)3)16(18)19/h7-12,14-15,17H,6H2,1-5H3
InChIKeyIDHKQBUEQAFMFA-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239257
3-(1-methylsulfonylpropan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83263977
5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
3-cyclohexyl-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242357
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
3-butan-2-yl-5-phenyl-2-thiophen-2-ylimidazolidin-4-one
CID 83224947
5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 104767703
5-butan-2-yl-3-pentyl-2-thiophen-2-ylimidazolidin-4-one
CID 83250979
5-butan-2-yl-3-(2-methylcyclopropyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83254989
3-(1-methoxypropan-2-yl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83239793
3-(oxan-2-ylmethyl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83247866
3-(2-methyloxolan-3-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83260026

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one (CID 83245275) is 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is CCC(C)C(C)N1C(=O)C(C(C)C)NC1c1cccs1.
What is the InChIKey of 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is IDHKQBUEQAFMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-6-11(4)12(5)18-15(13-8-7-9-20-13)17-14(10(2)3)16(18)19/h7-12,14-15,17H,6H2,1-5H3.
What are the key properties of 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one?
3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 294.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-yl)-5-propan-2-yl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83245275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).