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

C15H24N2O2S — CID 83244554

IUPAC5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(CCCOC)C1=O
InChIInChI=1S/C15H24N2O2S/c1-5-15(3)14(18)17(9-6-10-19-4)13(16-15)12-8-7-11(2)20-12/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyXKNIEIJWCRQAAD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.69
Rot. Bonds6

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

5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 83244554) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID83244554
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(CCCOC)C1=O
InChIInChI=1S/C15H24N2O2S/c1-5-15(3)14(18)17(9-6-10-19-4)13(16-15)12-8-7-11(2)20-12/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyXKNIEIJWCRQAAD-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 83244554) is 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1(C)NC(c2ccc(C)s2)N(CCCOC)C1=O.
What is the InChIKey of 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is XKNIEIJWCRQAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-15(3)14(18)17(9-6-10-19-4)13(16-15)12-8-7-11(2)20-12/h7-8,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 296.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83244554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).