3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione

C18H19N3O3 — CID 53241836

IUPAC3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cccc(C)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H19N3O3/c1-11-6-5-7-12(2)15(11)24-14-9-8-13(10-19-14)21-16(22)18(3,4)20-17(21)23/h5-10H,1-4H3,(H,20,23)
InChIKeyZJXSKCKSDWJWDC-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.33
Rot. Bonds3

About 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione

3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53241836) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53241836
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cccc(C)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1
InChIInChI=1S/C18H19N3O3/c1-11-6-5-7-12(2)15(11)24-14-9-8-13(10-19-14)21-16(22)18(3,4)20-17(21)23/h5-10H,1-4H3,(H,20,23)
InChIKeyZJXSKCKSDWJWDC-UHFFFAOYSA-N
XLogP3.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
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-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53241836) is 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1cccc(C)c1Oc1ccc(N2C(=O)NC(C)(C)C2=O)cn1.
What is the InChIKey of 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZJXSKCKSDWJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-6-5-7-12(2)15(11)24-14-9-8-13(10-19-14)21-16(22)18(3,4)20-17(21)23/h5-10H,1-4H3,(H,20,23).
What are the key properties of 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 325.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).