5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione

C16H22N4O2 — CID 82096824

IUPAC5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CN3CCNCC3)C2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)16(2)14(21)20(15(22)18-16)11-19-9-7-17-8-10-19/h3-6,17H,7-11H2,1-2H3,(H,18,22)
InChIKeyFODVHRPSMPTZRG-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.62
Rot. Bonds3

About 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione

5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione (PubChem CID 82096824) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
PubChem CID82096824
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc(C2(C)NC(=O)N(CN3CCNCC3)C2=O)cc1
InChIInChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)16(2)14(21)20(15(22)18-16)11-19-9-7-17-8-10-19/h3-6,17H,7-11H2,1-2H3,(H,18,22)
InChIKeyFODVHRPSMPTZRG-UHFFFAOYSA-N
XLogP0.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-5-(4-methylphenyl)-3-[[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 42911148
3-(3-hydroxy-3-methylbutyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 111825021
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 134008894
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
CID 31383195
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 5010389
3-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 120659910
3-[(4-tert-butylphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 4084225
2-[4-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]butyl]isoindole-1,3-dione
CID 18266875
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394449

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione (CID 82096824) is 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione is Cc1ccc(C2(C)NC(=O)N(CN3CCNCC3)C2=O)cc1.
What is the InChIKey of 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is FODVHRPSMPTZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-3-5-13(6-4-12)16(2)14(21)20(15(22)18-16)11-19-9-7-17-8-10-19/h3-6,17H,7-11H2,1-2H3,(H,18,22).
What are the key properties of 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 302.38 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82096824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).