5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole

C25H18FN3O4S — CID 23145540

IUPAC5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccccc2F)cc1
InChIInChI=1S/C25H18FN3O4S/c1-34(30,31)17-11-9-16(10-12-17)32-23-14-20-21(29-25(28-20)19-7-4-5-13-27-19)15-24(23)33-22-8-3-2-6-18(22)26/h2-15H,1H3,(H,28,29)
InChIKeyYNTVYHDVASEQHO-UHFFFAOYSA-N
MW475.50 g/mol
LogP5.75
Rot. Bonds6

About 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole

5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 23145540) has the molecular formula C25H18FN3O4S and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
PubChem CID23145540
Molecular FormulaC25H18FN3O4S
Molecular Weight475.50 g/mol
Exact Mass475.10
IUPAC Name5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccccc2F)cc1
InChIInChI=1S/C25H18FN3O4S/c1-34(30,31)17-11-9-16(10-12-17)32-23-14-20-21(29-25(28-20)19-7-4-5-13-27-19)15-24(23)33-22-8-3-2-6-18(22)26/h2-15H,1H3,(H,28,29)
InChIKeyYNTVYHDVASEQHO-UHFFFAOYSA-N
XLogP5.75
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.50
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(1-fluoroethyl)pyrrolidin-1-yl]-5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole
CID 23145205
1-[[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-5-sulfanylpyrrolidin-2-one
CID 141254244
1-[(2S,4S)-4-fluoro-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482526
5-(2-fluorophenoxy)-6-[(6-nitro-3-pyridinyl)oxy]-2-pyrazin-2-yl-1H-benzimidazole
CID 23145462
1-[(2R,4R)-4-hydroxy-2-[6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 67482427
5-(4-ethylsulfonylphenoxy)-6-(pyrazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
CID 57433583
2-[[6-[(6-ethylsulfonyl-3-pyridinyl)oxy]-2-pyridin-2-yl-1H-benzimidazol-5-yl]oxy]-3-fluorobenzamide
CID 11785921
1-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]pyrrolidine-2,5-dione
CID 11562233
1-[2-[6-(3-fluoro-4-methylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145182
2-[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]-N-methoxy-N-methylacetamide
CID 86620339
5-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-indole
CID 151974369
4-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]morpholin-3-one
CID 46226734

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole (CID 23145540) is 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole is CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2Oc2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is YNTVYHDVASEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O4S/c1-34(30,31)17-11-9-16(10-12-17)32-23-14-20-21(29-25(28-20)19-7-4-5-13-27-19)15-24(23)33-22-8-3-2-6-18(22)26/h2-15H,1H3,(H,28,29).
What are the key properties of 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole?
5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 475.50 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-6-(4-methylsulfonylphenoxy)-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 23145540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).