5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

C17H25N3O — CID 83252752

IUPAC5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C17H25N3O/c1-4-15-17(21)20(14-9-10-19(3)11-14)16(18-15)13-7-5-12(2)6-8-13/h5-8,14-16,18H,4,9-11H2,1-3H3
InChIKeyBSFXLZQBVFHURT-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.91
Rot. Bonds3

About 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one

5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (PubChem CID 83252752) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
PubChem CID83252752
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
SMILESCCC1NC(c2ccc(C)cc2)N(C2CCN(C)C2)C1=O
InChIInChI=1S/C17H25N3O/c1-4-15-17(21)20(14-9-10-19(3)11-14)16(18-15)13-7-5-12(2)6-8-13/h5-8,14-16,18H,4,9-11H2,1-3H3
InChIKeyBSFXLZQBVFHURT-UHFFFAOYSA-N
XLogP1.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(1-methylpiperidin-3-yl)-2-phenylimidazolidin-4-one
CID 83247325
5-ethyl-2-(4-methylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83263894
3-(2,2-dimethylcyclopropyl)-5-ethyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83247393
3-cyclopentyl-5-ethyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83242494
3-(1-methylpyrrolidin-3-yl)-2-(5-methylthiophen-2-yl)-5-propylimidazolidin-4-one
CID 83252605
2-(4-methoxyphenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252581
5-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83252600
3-cyclopropyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83245143
3-cyclobutyl-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83248956
2-(3,4-difluorophenyl)-5-methyl-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one
CID 83252608
3-cyclobutyl-2-(3,4-difluorophenyl)-5-ethylimidazolidin-4-one
CID 83254392
3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243189

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The IUPAC name of 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one (CID 83252752) is 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is CCC1NC(c2ccc(C)cc2)N(C2CCN(C)C2)C1=O.
What is the InChIKey of 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
The InChIKey is BSFXLZQBVFHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-15-17(21)20(14-9-10-19(3)11-14)16(18-15)13-7-5-12(2)6-8-13/h5-8,14-16,18H,4,9-11H2,1-3H3.
What are the key properties of 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one?
5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methylphenyl)-3-(1-methylpyrrolidin-3-yl)imidazolidin-4-one is sourced from PubChem (CID 83252752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).