2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one

C17H25N3O — CID 83246906

IUPAC2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2CC2CCCN(C)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-5-3-7-15(9-13)17-18-10-16(21)20(17)12-14-6-4-8-19(2)11-14/h3,5,7,9,14,17-18H,4,6,8,10-12H2,1-2H3
InChIKeyDDOULNPPPPHRLI-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one

2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one (PubChem CID 83246906) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
PubChem CID83246906
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2CC2CCCN(C)C2)c1
InChIInChI=1S/C17H25N3O/c1-13-5-3-7-15(9-13)17-18-10-16(21)20(17)12-14-6-4-8-19(2)11-14/h3,5,7,9,14,17-18H,4,6,8,10-12H2,1-2H3
InChIKeyDDOULNPPPPHRLI-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclohexylethyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83246283
2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
CID 83256473
2-(2,4-dimethylphenyl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazolidin-4-one
CID 83245513
2-(3-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257415
3-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylimidazolidin-4-one
CID 83255795
3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83244061
3-(cyclopentylmethyl)-2-(2,5-dimethylphenyl)imidazolidin-4-one
CID 83243427
2-(3-fluorophenyl)-3-[(4-methylmorpholin-2-yl)methyl]imidazolidin-4-one
CID 83269076
2-(3-chlorophenyl)-3-[(4-methylmorpholin-2-yl)methyl]imidazolidin-4-one
CID 83268879
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
CID 107416096
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83236888

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one?
The IUPAC name of 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one (CID 83246906) is 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one.
What is the SMILES notation for 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one?
The canonical SMILES for 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2CC2CCCN(C)C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one?
The InChIKey is DDOULNPPPPHRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-5-3-7-15(9-13)17-18-10-16(21)20(17)12-14-6-4-8-19(2)11-14/h3,5,7,9,14,17-18H,4,6,8,10-12H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one?
2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazolidin-4-one is sourced from PubChem (CID 83246906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).