[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

C16H16N2O6 — CID 7550891

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)N2CCNC2=O)oc2ccccc12
InChIInChI=1S/C16H16N2O6/c1-22-8-11-10-4-2-3-5-12(10)24-14(11)15(20)23-9-13(19)18-7-6-17-16(18)21/h2-5H,6-9H2,1H3,(H,17,21)
InChIKeyZKORVPOVKNXJED-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.29
Rot. Bonds5

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7550891) has the molecular formula C16H16N2O6 and a molecular weight of 332.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
PubChem CID7550891
Molecular FormulaC16H16N2O6
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
SMILESCOCc1c(C(=O)OCC(=O)N2CCNC2=O)oc2ccccc12
InChIInChI=1S/C16H16N2O6/c1-22-8-11-10-4-2-3-5-12(10)24-14(11)15(20)23-9-13(19)18-7-6-17-16(18)21/h2-5H,6-9H2,1H3,(H,17,21)
InChIKeyZKORVPOVKNXJED-UHFFFAOYSA-N
XLogP1.29
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7550891) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCC(=O)N2CCNC2=O)oc2ccccc12.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
The InChIKey is ZKORVPOVKNXJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6/c1-22-8-11-10-4-2-3-5-12(10)24-14(11)15(20)23-9-13(19)18-7-6-17-16(18)21/h2-5H,6-9H2,1H3,(H,17,21).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 332.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7550891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).