5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one

C22H19NO2 — CID 5001076

IUPAC5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one
SMILESCc1cc(C)cc(Cn2cc(-c3cc4ccccc4o3)ccc2=O)c1
InChIInChI=1S/C22H19NO2/c1-15-9-16(2)11-17(10-15)13-23-14-19(7-8-22(23)24)21-12-18-5-3-4-6-20(18)25-21/h3-12,14H,13H2,1-2H3
InChIKeyLDBUUCUSKUIXOL-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.93
Rot. Bonds3

About 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one

5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one (PubChem CID 5001076) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one
PubChem CID5001076
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one
SMILESCc1cc(C)cc(Cn2cc(-c3cc4ccccc4o3)ccc2=O)c1
InChIInChI=1S/C22H19NO2/c1-15-9-16(2)11-17(10-15)13-23-14-19(7-8-22(23)24)21-12-18-5-3-4-6-20(18)25-21/h3-12,14H,13H2,1-2H3
InChIKeyLDBUUCUSKUIXOL-UHFFFAOYSA-N
XLogP4.93
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-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

Related Compounds

5-(1-benzofuran-2-yl)-1-[(2,4-difluorophenyl)methyl]pyridin-2-one
CID 4253035
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione
CID 162413109
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
1-[[2-[4-(1-benzofuran-2-yl)phenyl]phenyl]methyl]piperazine
CID 123869857
3-(1-benzofuran-2-yl)-1-[(4-methylphenyl)methyl]pyrazole
CID 99964612
2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one (CID 5001076) is 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one is Cc1cc(C)cc(Cn2cc(-c3cc4ccccc4o3)ccc2=O)c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one?
The InChIKey is LDBUUCUSKUIXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15-9-16(2)11-17(10-15)13-23-14-19(7-8-22(23)24)21-12-18-5-3-4-6-20(18)25-21/h3-12,14H,13H2,1-2H3.
What are the key properties of 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one?
5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 5001076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).