ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

C16H14N2O6 — CID 691328

IUPACethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O6/c1-2-22-15(20)13-10(17-16(21)18-13)8-23-14(19)12-7-9-5-3-4-6-11(9)24-12/h3-7H,2,8H2,1H3,(H2,17,18,21)
InChIKeyUCFFJRDWKCMXGZ-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.98
Rot. Bonds5

About ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 691328) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID691328
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC Nameethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H14N2O6/c1-2-22-15(20)13-10(17-16(21)18-13)8-23-14(19)12-7-9-5-3-4-6-11(9)24-12/h3-7H,2,8H2,1H3,(H2,17,18,21)
InChIKeyUCFFJRDWKCMXGZ-UHFFFAOYSA-N
XLogP1.98
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 691328) is ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1cc2ccccc2o1.
What is the InChIKey of ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is UCFFJRDWKCMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-2-22-15(20)13-10(17-16(21)18-13)8-23-14(19)12-7-9-5-3-4-6-11(9)24-12/h3-7H,2,8H2,1H3,(H2,17,18,21).
What are the key properties of ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 330.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-benzofuran-2-carbonyloxymethyl)-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 691328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).