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

C16H23N3O — CID 83244495

IUPAC2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-12-3-5-13(6-4-12)16-17-11-15(20)19(16)14-7-9-18(2)10-8-14/h3-6,14,16-17H,7-11H2,1-2H3
InChIKeyJIBADDGDLXEXSC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.52
Rot. Bonds2

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

2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one (PubChem CID 83244495) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
PubChem CID83244495
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one
SMILESCc1ccc(C2NCC(=O)N2C2CCN(C)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-12-3-5-13(6-4-12)16-17-11-15(20)19(16)14-7-9-18(2)10-8-14/h3-6,14,16-17H,7-11H2,1-2H3
InChIKeyJIBADDGDLXEXSC-UHFFFAOYSA-N
XLogP1.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethyloxan-4-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83269852
3-(3-ethylcyclohexyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83266710
3-(2,3-dimethylcyclopentyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83259159
2-phenyl-3-(1-propylpiperidin-4-yl)imidazolidin-4-one
CID 83253513
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
2-(4-fluorophenyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83256425
3-cyclohexyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83242702
3-cycloheptyl-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83246732
2-(4-methoxyphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
CID 83247319
2-(3-methylphenyl)-3-(1-methylpiperidin-3-yl)imidazolidin-4-one
CID 83256473
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one (CID 83244495) is 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one is Cc1ccc(C2NCC(=O)N2C2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one?
The InChIKey is JIBADDGDLXEXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-3-5-13(6-4-12)16-17-11-15(20)19(16)14-7-9-18(2)10-8-14/h3-6,14,16-17H,7-11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one?
2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1-methylpiperidin-4-yl)imidazolidin-4-one is sourced from PubChem (CID 83244495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).