1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

C14H10N2O5 — CID 62025761

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C14H10N2O5/c1-15-12(18)13(19)16(14(15)20)6-10(17)9-7-21-11-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyZHSLVNBAAFAJMF-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.04
Rot. Bonds3

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 62025761) has the molecular formula C14H10N2O5 and a molecular weight of 286.24 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID62025761
Molecular FormulaC14H10N2O5
Molecular Weight286.24 g/mol
Exact Mass286.06
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CC(=O)c2coc3ccccc23)C1=O
InChIInChI=1S/C14H10N2O5/c1-15-12(18)13(19)16(14(15)20)6-10(17)9-7-21-11-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3
InChIKeyZHSLVNBAAFAJMF-UHFFFAOYSA-N
XLogP1.04
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione (CID 62025761) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CC(=O)c2coc3ccccc23)C1=O.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is ZHSLVNBAAFAJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O5/c1-15-12(18)13(19)16(14(15)20)6-10(17)9-7-21-11-5-3-2-4-8(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 286.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 62025761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).