3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one

C24H22N4O5S — CID 44555462

IUPAC3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOC2=O)cc1
InChIInChI=1S/C24H22N4O5S/c1-2-34(30,31)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-28-11-12-32-24(28)29)26-23(27-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,27)
InChIKeyKZSSMVSIXNWYIC-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.16
Rot. Bonds7

About 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one

3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 44555462) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID44555462
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC Name3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOC2=O)cc1
InChIInChI=1S/C24H22N4O5S/c1-2-34(30,31)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-28-11-12-32-24(28)29)26-23(27-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,27)
InChIKeyKZSSMVSIXNWYIC-UHFFFAOYSA-N
XLogP4.16
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-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

1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
CID 11562233
3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 11504344
N-((5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)methyl)-N-methylacetamide
CID 11605090
6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1H-benzimidazole
CID 11649204
1-[2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145643
3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 44555463
5-(4-(ethylsulfonyl)phenoxy)-6-((1-methyl-1H-tetrazol-5-yl)methyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 46226664
N-((5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)methyl)acetamide
CID 46226671
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidin-2-one
CID 46226685
5-[4-(Ethylsulfonyl)phenoxy]-6-(1H-imidazol-1-ylmethyl)-2-(pyridin-2-yl)-1H-benzimidazole
CID 46226690
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)-3-methylimidazolidin-2-one
CID 46226704
N-ethyl-N-((5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)methyl)acetamide
CID 46226729

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 44555462) is 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOC2=O)cc1.
What is the InChIKey of 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is KZSSMVSIXNWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-2-34(30,31)18-8-6-17(7-9-18)33-22-14-21-20(13-16(22)15-28-11-12-32-24(28)29)26-23(27-21)19-5-3-4-10-25-19/h3-10,13-14H,2,11-12,15H2,1H3,(H,26,27).
What are the key properties of 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one?
3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 478.53 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 44555462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).