3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C13H20N2O2S — CID 83259327

IUPAC3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCOCCC(C)N1C(=O)CNC1c1ccc(C)s1
InChIInChI=1S/C13H20N2O2S/c1-9(6-7-17-3)15-12(16)8-14-13(15)11-5-4-10(2)18-11/h4-5,9,13-14H,6-8H2,1-3H3
InChIKeyLLVJKRCHXFJKDG-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.91
Rot. Bonds5

About 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83259327) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83259327
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCOCCC(C)N1C(=O)CNC1c1ccc(C)s1
InChIInChI=1S/C13H20N2O2S/c1-9(6-7-17-3)15-12(16)8-14-13(15)11-5-4-10(2)18-11/h4-5,9,13-14H,6-8H2,1-3H3
InChIKeyLLVJKRCHXFJKDG-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268226
3-(1-cyclopropylbutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83264382
3-(4-methoxybutan-2-yl)-2-(3-nitrophenyl)imidazolidin-4-one
CID 83268031
3-[3-[methyl(propan-2-yl)amino]propyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 106053056
3-(4-methoxybutan-2-yl)-2-propylimidazolidin-4-one
CID 83259409
3-[4-[methyl(propan-2-yl)amino]butyl]-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83247467
6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
3-(2-cyclopentyloxyethyl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83257504
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267196
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83259327) is 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is COCCC(C)N1C(=O)CNC1c1ccc(C)s1.
What is the InChIKey of 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is LLVJKRCHXFJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(6-7-17-3)15-12(16)8-14-13(15)11-5-4-10(2)18-11/h4-5,9,13-14H,6-8H2,1-3H3.
What are the key properties of 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 268.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83259327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).