2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one

C17H25N3O — CID 83245513

IUPAC2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCN(C)C2)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-4-5-15(13(2)8-12)17-18-9-16(21)20(17)11-14-6-7-19(3)10-14/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyQELBCYMZPIEWBS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.69
Rot. Bonds3

About 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one

2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one (PubChem CID 83245513) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
PubChem CID83245513
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2CC2CCN(C)C2)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-4-5-15(13(2)8-12)17-18-9-16(21)20(17)11-14-6-7-19(3)10-14/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3
InChIKeyQELBCYMZPIEWBS-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentylethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83246005
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
CID 83246906
3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83252968
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
methyl 3-[2-(2,4-dimethylphenyl)-5-oxoimidazolidin-1-yl]propanoate
CID 83255760
3-[2-(dimethylamino)propyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83249995
2-(2,5-dimethylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254467
2-(2,4-dimethylphenyl)-3-[(4-methylthiophen-3-yl)methyl]imidazolidin-4-one
CID 83267679
2-(2,5-dimethylphenyl)-3-propylimidazolidin-4-one
CID 115282074
2-(2,5-dimethylphenyl)-3-ethylimidazolidin-4-one
CID 115282036

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one (CID 83245513) is 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2CC2CCN(C)C2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
The InChIKey is QELBCYMZPIEWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-4-5-15(13(2)8-12)17-18-9-16(21)20(17)11-14-6-7-19(3)10-14/h4-5,8,14,17-18H,6-7,9-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one?
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83245513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).