5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione

C14H16N2O3 — CID 66598407

IUPAC5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C)Cc2cc(C3(C)NC(=O)NC3=O)ccc2O1
InChIInChI=1S/C14H16N2O3/c1-13(2)7-8-6-9(4-5-10(8)19-13)14(3)11(17)15-12(18)16-14/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyGTCIOGIORZKOEX-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.45
Rot. Bonds1

About 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione

5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione (PubChem CID 66598407) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione
PubChem CID66598407
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione
SMILESCC1(C)Cc2cc(C3(C)NC(=O)NC3=O)ccc2O1
InChIInChI=1S/C14H16N2O3/c1-13(2)7-8-6-9(4-5-10(8)19-13)14(3)11(17)15-12(18)16-14/h4-6H,7H2,1-3H3,(H2,15,16,17,18)
InChIKeyGTCIOGIORZKOEX-UHFFFAOYSA-N
XLogP1.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione (CID 66598407) is 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione is CC1(C)Cc2cc(C3(C)NC(=O)NC3=O)ccc2O1.
What is the InChIKey of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GTCIOGIORZKOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-13(2)7-8-6-9(4-5-10(8)19-13)14(3)11(17)15-12(18)16-14/h4-6H,7H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione?
5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 66598407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).