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

C16H26N2O2S — CID 83268226

IUPAC5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(C(C)CCOC)C1=O
InChIInChI=1S/C16H26N2O2S/c1-6-16(4)15(19)18(11(2)9-10-20-5)14(17-16)13-8-7-12(3)21-13/h7-8,11,14,17H,6,9-10H2,1-5H3
InChIKeyYZYNULVWCKMHBD-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.08
Rot. Bonds6

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

5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83268226) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83268226
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(C(C)CCOC)C1=O
InChIInChI=1S/C16H26N2O2S/c1-6-16(4)15(19)18(11(2)9-10-20-5)14(17-16)13-8-7-12(3)21-13/h7-8,11,14,17H,6,9-10H2,1-5H3
InChIKeyYZYNULVWCKMHBD-UHFFFAOYSA-N
XLogP3.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244554
3-(4-methoxybutan-2-yl)-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83259327
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767642
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267196
3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
3-[4-(dimethylamino)butan-2-yl]-5-ethyl-5-methyl-2-thiophen-2-ylimidazolidin-4-one
CID 83253324
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83225204

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83268226) is 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1(C)NC(c2ccc(C)s2)N(C(C)CCOC)C1=O.
What is the InChIKey of 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is YZYNULVWCKMHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-16(4)15(19)18(11(2)9-10-20-5)14(17-16)13-8-7-12(3)21-13/h7-8,11,14,17H,6,9-10H2,1-5H3.
What are the key properties of 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 310.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83268226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).