1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone

C18H15NO2 — CID 62206433

IUPAC1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc2ccccc2o1
InChIInChI=1S/C18H15NO2/c20-16(18-9-13-5-3-4-8-17(13)21-18)12-19-10-14-6-1-2-7-15(14)11-19/h1-9H,10-12H2
InChIKeyLSTSGTJXRBFCIP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.63
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone

1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone (PubChem CID 62206433) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
PubChem CID62206433
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1cc2ccccc2o1
InChIInChI=1S/C18H15NO2/c20-16(18-9-13-5-3-4-8-17(13)21-18)12-19-10-14-6-1-2-7-15(14)11-19/h1-9H,10-12H2
InChIKeyLSTSGTJXRBFCIP-UHFFFAOYSA-N
XLogP3.63
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60624376
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960519
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone (CID 62206433) is 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone is O=C(CN1Cc2ccccc2C1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
The InChIKey is LSTSGTJXRBFCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-16(18-9-13-5-3-4-8-17(13)21-18)12-19-10-14-6-1-2-7-15(14)11-19/h1-9H,10-12H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone has a molecular weight of 277.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone is sourced from PubChem (CID 62206433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).