3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

C16H24N2OS — CID 83264067

IUPAC3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(C(CC)CC2CC2)C1=O
InChIInChI=1S/C16H24N2OS/c1-3-12(10-11-7-8-11)18-15(14-6-5-9-20-14)17-13(4-2)16(18)19/h5-6,9,11-13,15,17H,3-4,7-8,10H2,1-2H3
InChIKeyHXVAVDVJGCXNOF-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.54
Rot. Bonds6

About 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one

3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83264067) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83264067
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
SMILESCCC1NC(c2cccs2)N(C(CC)CC2CC2)C1=O
InChIInChI=1S/C16H24N2OS/c1-3-12(10-11-7-8-11)18-15(14-6-5-9-20-14)17-13(4-2)16(18)19/h5-6,9,11-13,15,17H,3-4,7-8,10H2,1-2H3
InChIKeyHXVAVDVJGCXNOF-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-pentan-3-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83242684
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-methylimidazolidin-4-one
CID 83264381
3-[1-(diethylamino)propan-2-yl]-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83252436
3-(1-cyclopentylethyl)-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83263566
3-butan-2-yl-5-propyl-2-thiophen-2-ylimidazolidin-4-one
CID 83240108
5-ethyl-3-(4-methylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83239488
3-(2-cyclohexylethyl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one
CID 83246276
5-ethyl-3-(2-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83253806
5-ethyl-3-(3-ethyl-2-methylcyclopentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83266925
5-ethyl-3-(4-methylpentyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83255454
5-ethyl-3-(thian-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270283

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one (CID 83264067) is 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is CCC1NC(c2cccs2)N(C(CC)CC2CC2)C1=O.
What is the InChIKey of 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is HXVAVDVJGCXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-12(10-11-7-8-11)18-15(14-6-5-9-20-14)17-13(4-2)16(18)19/h5-6,9,11-13,15,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one?
3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 292.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylbutan-2-yl)-5-ethyl-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83264067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).