1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one

C15H14N2O3 — CID 80580957

IUPAC1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)c2coc3ccccc23)c1=O
InChIInChI=1S/C15H14N2O3/c1-2-16-7-8-17(15(16)19)9-13(18)12-10-20-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3
InChIKeyOWQKDENDLVYIEU-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one (PubChem CID 80580957) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one
PubChem CID80580957
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CC(=O)c2coc3ccccc23)c1=O
InChIInChI=1S/C15H14N2O3/c1-2-16-7-8-17(15(16)19)9-13(18)12-10-20-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3
InChIKeyOWQKDENDLVYIEU-UHFFFAOYSA-N
XLogP2.30
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrimidin-2-one
CID 62018796
1-(1-benzofuran-3-yl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797949
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651480
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024555
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 62025761
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]azepane-2,7-dione
CID 62024167
2-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79872752
3-[2-(1-benzofuran-3-yl)-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312771
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
CID 89242212
CID 89242212
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301721
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62025100

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one (CID 80580957) is 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one is CCn1ccn(CC(=O)c2coc3ccccc23)c1=O.
What is the InChIKey of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one?
The InChIKey is OWQKDENDLVYIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-16-7-8-17(15(16)19)9-13(18)12-10-20-14-6-4-3-5-11(12)14/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one?
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-ethylimidazol-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.30, 4 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-ethylimidazol-2-one is sourced from PubChem (CID 80580957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).