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

C16H26N2O2S — CID 104767642

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

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

5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (PubChem CID 104767642) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
PubChem CID104767642
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(CCOC(C)C)C1=O
InChIInChI=1S/C16H26N2O2S/c1-6-16(5)15(19)18(9-10-20-11(2)3)14(17-16)13-8-7-12(4)21-13/h7-8,11,14,17H,6,9-10H2,1-5H3
InChIKeyKMEPBFCYRINCBU-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

5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244554
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767656
5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268226
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
2-cyclopentyl-5-ethyl-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767617
3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
5-ethyl-3-(2-methoxyethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242632
2-(4-chlorophenyl)-3-(2-ethoxyethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83232560
6-(2-methylsulfanylethyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257199
5-ethyl-5-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83252874
3-(2-butoxyethyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253506

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (CID 104767642) is 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is CCC1(C)NC(c2ccc(C)s2)N(CCOC(C)C)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The InChIKey is KMEPBFCYRINCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-16(5)15(19)18(9-10-20-11(2)3)14(17-16)13-8-7-12(4)21-13/h7-8,11,14,17H,6,9-10H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)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-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is sourced from PubChem (CID 104767642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).