1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole

C20H16FN3O2S — CID 2754453

IUPAC1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1)n1c(CCc2ccccn2)nc2ccccc21
InChIInChI=1S/C20H16FN3O2S/c21-15-8-11-17(12-9-15)27(25,26)24-19-7-2-1-6-18(19)23-20(24)13-10-16-5-3-4-14-22-16/h1-9,11-12,14H,10,13H2
InChIKeyHUHCBENOBNQVDZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole

1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole (PubChem CID 2754453) has the molecular formula C20H16FN3O2S and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
PubChem CID2754453
Molecular FormulaC20H16FN3O2S
Molecular Weight381.43 g/mol
Exact Mass381.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1)n1c(CCc2ccccn2)nc2ccccc21
InChIInChI=1S/C20H16FN3O2S/c21-15-8-11-17(12-9-15)27(25,26)24-19-7-2-1-6-18(19)23-20(24)13-10-16-5-3-4-14-22-16/h1-9,11-12,14H,10,13H2
InChIKeyHUHCBENOBNQVDZ-UHFFFAOYSA-N
XLogP3.59
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5,6-difluoro-1-(4-fluorophenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108184
2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 11846350
2-[2-[1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108350
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
4-(2-benzylbenzimidazol-1-yl)sulfonylaniline
CID 23822189
1-(4-fluorophenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 118737474
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
1-(2-nitrophenyl)sulfonyl-2-(2-phenylethyl)benzimidazole
CID 141108102
4-[[1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
CID 43813836
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025
3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 18362996

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole (CID 2754453) is 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole is O=S(=O)(c1ccc(F)cc1)n1c(CCc2ccccn2)nc2ccccc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole?
The InChIKey is HUHCBENOBNQVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S/c21-15-8-11-17(12-9-15)27(25,26)24-19-7-2-1-6-18(19)23-20(24)13-10-16-5-3-4-14-22-16/h1-9,11-12,14H,10,13H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole?
1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole has a molecular weight of 381.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole is sourced from PubChem (CID 2754453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).