5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione

C19H27N3O2 — CID 82148867

IUPAC5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(C)cc2C)NC(=O)N(CC2CCCNC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-4-19(16-8-7-13(2)10-14(16)3)17(23)22(18(24)21-19)12-15-6-5-9-20-11-15/h7-8,10,15,20H,4-6,9,11-12H2,1-3H3,(H,21,24)
InChIKeyNXRWKNYJTSAXHE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.46
Rot. Bonds4

About 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione

5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 82148867) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID82148867
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione
SMILESCCC1(c2ccc(C)cc2C)NC(=O)N(CC2CCCNC2)C1=O
InChIInChI=1S/C19H27N3O2/c1-4-19(16-8-7-13(2)10-14(16)3)17(23)22(18(24)21-19)12-15-6-5-9-20-11-15/h7-8,10,15,20H,4-6,9,11-12H2,1-3H3,(H,21,24)
InChIKeyNXRWKNYJTSAXHE-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-methylpropyl)-5-(2,4-dimethylphenyl)-5-ethylimidazolidine-2,4-dione
CID 82148529
5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 82148872
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172670374
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione (CID 82148867) is 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione is CCC1(c2ccc(C)cc2C)NC(=O)N(CC2CCCNC2)C1=O.
What is the InChIKey of 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is NXRWKNYJTSAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-4-19(16-8-7-13(2)10-14(16)3)17(23)22(18(24)21-19)12-15-6-5-9-20-11-15/h7-8,10,15,20H,4-6,9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione?
5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 82148867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).