5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one

C20H18FNO2S — CID 69398093

IUPAC5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1C(O)c1cc2ccccc2s1
InChIInChI=1S/C20H18FNO2S/c1-22-18(23)11-14(13-7-3-4-8-15(13)21)19(22)20(24)17-10-12-6-2-5-9-16(12)25-17/h2-10,14,19-20,24H,11H2,1H3
InChIKeyIKNRXOCNZLFQJW-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.09
Rot. Bonds3

About 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one

5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one (PubChem CID 69398093) has the molecular formula C20H18FNO2S and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one
PubChem CID69398093
Molecular FormulaC20H18FNO2S
Molecular Weight355.43 g/mol
Exact Mass355.10
IUPAC Name5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1C(O)c1cc2ccccc2s1
InChIInChI=1S/C20H18FNO2S/c1-22-18(23)11-14(13-7-3-4-8-15(13)21)19(22)20(24)17-10-12-6-2-5-9-16(12)25-17/h2-10,14,19-20,24H,11H2,1H3
InChIKeyIKNRXOCNZLFQJW-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one 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 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one (CID 69398093) is 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(c2ccccc2F)C1C(O)c1cc2ccccc2s1.
What is the InChIKey of 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one?
The InChIKey is IKNRXOCNZLFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2S/c1-22-18(23)11-14(13-7-3-4-8-15(13)21)19(22)20(24)17-10-12-6-2-5-9-16(12)25-17/h2-10,14,19-20,24H,11H2,1H3.
What are the key properties of 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one?
5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one has a molecular weight of 355.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-benzothiophen-2-yl(hydroxy)methyl]-4-(2-fluorophenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 69398093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).