3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

C14H22N2OS — CID 83239838

IUPAC3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)(CC)NC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-5-10(3)16-12(11-7-8-18-9-11)15-14(4,6-2)13(16)17/h7-10,12,15H,5-6H2,1-4H3
InChIKeyCSCVUFBDGFCUSH-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.15
Rot. Bonds4

About 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one

3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (PubChem CID 83239838) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
PubChem CID83239838
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
SMILESCCC(C)N1C(=O)C(C)(CC)NC1c1ccsc1
InChIInChI=1S/C14H22N2OS/c1-5-10(3)16-12(11-7-8-18-9-11)15-14(4,6-2)13(16)17/h7-10,12,15H,5-6H2,1-4H3
InChIKeyCSCVUFBDGFCUSH-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83225204
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
(2R)-3-[(2R)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007953
3-(cyclobutylmethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83244229
(2R)-3-[(2S)-butan-2-yl]-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
CID 9007955
5-ethyl-5-methyl-3-(oxan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83263059
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
3-[4-(dimethylamino)butyl]-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83245133

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The IUPAC name of 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one (CID 83239838) is 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one.
What is the SMILES notation for 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The canonical SMILES for 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is CCC(C)N1C(=O)C(C)(CC)NC1c1ccsc1.
What is the InChIKey of 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
The InChIKey is CSCVUFBDGFCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-5-10(3)16-12(11-7-8-18-9-11)15-14(4,6-2)13(16)17/h7-10,12,15H,5-6H2,1-4H3.
What are the key properties of 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one?
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one has a molecular weight of 266.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one is sourced from PubChem (CID 83239838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).