1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C18H24N4O4 — CID 120732791

IUPAC1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C18H24N4O4/c1-18(2)16(24)20-17(25)22(18)11-15(23)21-9-8-19-10-13(21)12-6-4-5-7-14(12)26-3/h4-7,13,19H,8-11H2,1-3H3,(H,20,24,25)
InChIKeyXJTKJSCRVHEBFL-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.50
Rot. Bonds4

About 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 120732791) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID120732791
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C
InChIInChI=1S/C18H24N4O4/c1-18(2)16(24)20-17(25)22(18)11-15(23)21-9-8-19-10-13(21)12-6-4-5-7-14(12)26-3/h4-7,13,19H,8-11H2,1-3H3,(H,20,24,25)
InChIKeyXJTKJSCRVHEBFL-UHFFFAOYSA-N
XLogP0.50
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 120732791) is 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccccc1C1CNCCN1C(=O)CN1C(=O)NC(=O)C1(C)C.
What is the InChIKey of 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XJTKJSCRVHEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2)16(24)20-17(25)22(18)11-15(23)21-9-8-19-10-13(21)12-6-4-5-7-14(12)26-3/h4-7,13,19H,8-11H2,1-3H3,(H,20,24,25).
What are the key properties of 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 360.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 120732791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).