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

C24H24N4O5S2 — CID 11649204

IUPAC2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27)
InChIKeyKZADIHLFNCWLAC-UHFFFAOYSA-N
MW512.61 g/mol
LogP3.75
Rot. Bonds7

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

2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 11649204) has the molecular formula C24H24N4O5S2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID11649204
Molecular FormulaC24H24N4O5S2
Molecular Weight512.61 g/mol
Exact Mass512.12
IUPAC Name2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCCS2(=O)=O)cc1
InChIInChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27)
InChIKeyKZADIHLFNCWLAC-UHFFFAOYSA-N
XLogP3.75
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Omeprazole sulfone
CID 145900
3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 11504344
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
CID 11562233
N-((5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)methyl)-N-methylacetamide
CID 11605090
1-[2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145643
3-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)-1,3-oxazolidin-2-one
CID 44555462
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 11649204) is 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCCS2(=O)=O)cc1.
What is the InChIKey of 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is KZADIHLFNCWLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S2/c1-2-34(29,30)19-9-7-18(8-10-19)33-23-15-22-21(26-24(27-22)20-6-3-4-11-25-20)14-17(23)16-28-12-5-13-35(28,31)32/h3-4,6-11,14-15H,2,5,12-13,16H2,1H3,(H,26,27).
What are the key properties of 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 512.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 11649204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).