5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H22N2O4 — CID 60620193

IUPAC5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(C)c(C)c3)C2=O)c(C)o1
InChIInChI=1S/C20H22N2O4/c1-11-6-7-15(8-12(11)2)17(23)10-22-18(24)20(5,21-19(22)25)16-9-13(3)26-14(16)4/h6-9H,10H2,1-5H3,(H,21,25)
InChIKeyMACOCEFTDURHIO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.16
Rot. Bonds4

About 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 60620193) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID60620193
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(C)c(C)c3)C2=O)c(C)o1
InChIInChI=1S/C20H22N2O4/c1-11-6-7-15(8-12(11)2)17(23)10-22-18(24)20(5,21-19(22)25)16-9-13(3)26-14(16)4/h6-9H,10H2,1-5H3,(H,21,25)
InChIKeyMACOCEFTDURHIO-UHFFFAOYSA-N
XLogP3.16
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.16
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 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 60620193) is 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(C)c(C)c3)C2=O)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MACOCEFTDURHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-11-6-7-15(8-12(11)2)17(23)10-22-18(24)20(5,21-19(22)25)16-9-13(3)26-14(16)4/h6-9H,10H2,1-5H3,(H,21,25).
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 60620193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).