3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

C19H28N4O2 — CID 120758033

IUPAC3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1ccc(C2CNCCN2CCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C19H28N4O2/c1-4-14-5-7-15(8-6-14)16-13-20-9-10-22(16)11-12-23-17(24)19(2,3)21-18(23)25/h5-8,16,20H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyOWCALEKGWTXLLN-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.53
Rot. Bonds5

About 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 120758033) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID120758033
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1ccc(C2CNCCN2CCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C19H28N4O2/c1-4-14-5-7-15(8-6-14)16-13-20-9-10-22(16)11-12-23-17(24)19(2,3)21-18(23)25/h5-8,16,20H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyOWCALEKGWTXLLN-UHFFFAOYSA-N
XLogP1.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 120758033) is 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is CCc1ccc(C2CNCCN2CCN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is OWCALEKGWTXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-14-5-7-15(8-6-14)16-13-20-9-10-22(16)11-12-23-17(24)19(2,3)21-18(23)25/h5-8,16,20H,4,9-13H2,1-3H3,(H,21,25).
What are the key properties of 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 344.46 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-ethylphenyl)piperazin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 120758033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).