5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione

C18H19N3O5 — CID 71585551

IUPAC5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C18H19N3O5/c1-11-5-4-8-21(15(11)22)10-18(16(23)19-17(24)20-18)12-6-7-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H2,19,20,23,24)
InChIKeyOQESGEFNLAJHLP-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.91
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione

5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (PubChem CID 71585551) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
PubChem CID71585551
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione
SMILESCOc1ccc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C18H19N3O5/c1-11-5-4-8-21(15(11)22)10-18(16(23)19-17(24)20-18)12-6-7-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H2,19,20,23,24)
InChIKeyOQESGEFNLAJHLP-UHFFFAOYSA-N
XLogP0.91
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione (CID 71585551) is 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is COc1ccc(C2(Cn3cccc(C)c3=O)NC(=O)NC2=O)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
The InChIKey is OQESGEFNLAJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-11-5-4-8-21(15(11)22)10-18(16(23)19-17(24)20-18)12-6-7-13(25-2)14(9-12)26-3/h4-9H,10H2,1-3H3,(H2,19,20,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione?
5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione has a molecular weight of 357.37 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-5-[(3-methyl-2-oxo-1-pyridinyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71585551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).