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

C25H24N4O5S — CID 46226734

IUPAC4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOCC2=O)cc1
InChIInChI=1S/C25H24N4O5S/c1-2-35(31,32)19-8-6-18(7-9-19)34-23-14-22-21(27-25(28-22)20-5-3-4-10-26-20)13-17(23)15-29-11-12-33-16-24(29)30/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,27,28)
InChIKeyXNKAUSLNTJUONY-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.57
Rot. Bonds7

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

4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one (PubChem CID 46226734) has the molecular formula C25H24N4O5S and a molecular weight of 492.56 g/mol. Its IUPAC name is 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one
PubChem CID46226734
Molecular FormulaC25H24N4O5S
Molecular Weight492.56 g/mol
Exact Mass492.15
IUPAC Name4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOCC2=O)cc1
InChIInChI=1S/C25H24N4O5S/c1-2-35(31,32)19-8-6-18(7-9-19)34-23-14-22-21(27-25(28-22)20-5-3-4-10-26-20)13-17(23)15-29-11-12-33-16-24(29)30/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,27,28)
InChIKeyXNKAUSLNTJUONY-UHFFFAOYSA-N
XLogP3.57
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one with MolForge

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Related Compounds

1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 11562233
5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
CID 57433583
2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide
CID 86620339
1-[[6-(3-chloro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidin-2-one
CID 59729152
1-[[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-5-sulfanylpyrrolidin-2-one
CID 141254244
5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145540
6-[2-(1-fluoroethyl)pyrrolidin-1-yl]-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145205
N-methyl-2-[4-[[6-(5-oxooxolan-2-yl)-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]phenyl]acetamide
CID 46180879
1-[(2R,4R)-4-hydroxy-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482427
1-[(2S,4S)-4-fluoro-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482526
2-[[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-3-fluorobenzamide
CID 11785921
1-[2-[6-(3-fluoro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145182

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one (CID 46226734) is 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOCC2=O)cc1.
What is the InChIKey of 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one?
The InChIKey is XNKAUSLNTJUONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S/c1-2-35(31,32)19-8-6-18(7-9-19)34-23-14-22-21(27-25(28-22)20-5-3-4-10-26-20)13-17(23)15-29-11-12-33-16-24(29)30/h3-10,13-14H,2,11-12,15-16H2,1H3,(H,27,28).
What are the key properties of 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one?
4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one has a molecular weight of 492.56 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one is sourced from PubChem (CID 46226734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).