5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

C15H24N2O2S — CID 83239462

IUPAC5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(C(C)COC)C1=O
InChIInChI=1S/C15H24N2O2S/c1-5-10(2)13-15(18)17(11(3)8-19-4)14(16-13)12-6-7-20-9-12/h6-7,9-11,13-14,16H,5,8H2,1-4H3
InChIKeyCENUGJJOKLXUIP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.63
Rot. Bonds6

About 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one

5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83239462) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83239462
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(C)C1NC(c2ccsc2)N(C(C)COC)C1=O
InChIInChI=1S/C15H24N2O2S/c1-5-10(2)13-15(18)17(11(3)8-19-4)14(16-13)12-6-7-20-9-12/h6-7,9-11,13-14,16H,5,8H2,1-4H3
InChIKeyCENUGJJOKLXUIP-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-(2-propan-2-yloxyethyl)-2-thiophen-3-ylimidazolidin-4-one
CID 104767623
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CID 83243366
3-hexan-2-yl-5-propan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252691
5-butan-2-yl-3-cyclobutyl-2-thiophen-3-ylimidazolidin-4-one
CID 83255478
3-(1-methoxybutan-2-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263488
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
5-ethyl-3-(3-methylpentan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83248366
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
5-ethyl-3-hexan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83252367
5-ethyl-3-(1-methylsulfonylpropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263809
5-propan-2-yl-3-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83242352
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one (CID 83239462) is 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is CCC(C)C1NC(c2ccsc2)N(C(C)COC)C1=O.
What is the InChIKey of 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is CENUGJJOKLXUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-10(2)13-15(18)17(11(3)8-19-4)14(16-13)12-6-7-20-9-12/h6-7,9-11,13-14,16H,5,8H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one?
5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 296.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83239462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).