1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one

C20H14F3N3O3S — CID 70688848

IUPAC1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc3ccc(S(=O)(=O)CC(F)(F)F)cc3[nH]2)cn1-c1ccccc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)12-30(28,29)15-7-8-16-17(10-15)25-19(24-16)13-6-9-18(27)26(11-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
InChIKeyASOXHYLKWBYUGP-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.72
Rot. Bonds4

About 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one

1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one (PubChem CID 70688848) has the molecular formula C20H14F3N3O3S and a molecular weight of 433.41 g/mol. Its IUPAC name is 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
PubChem CID70688848
Molecular FormulaC20H14F3N3O3S
Molecular Weight433.41 g/mol
Exact Mass433.07
IUPAC Name1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc3ccc(S(=O)(=O)CC(F)(F)F)cc3[nH]2)cn1-c1ccccc1
InChIInChI=1S/C20H14F3N3O3S/c21-20(22,23)12-30(28,29)15-7-8-16-17(10-15)25-19(24-16)13-6-9-18(27)26(11-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25)
InChIKeyASOXHYLKWBYUGP-UHFFFAOYSA-N
XLogP3.72
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R,4R)-2-(benzenesulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
CID 11180383
1-[4-[[2-Tert-butyl-5-(4,4,4-trifluorobutylsulfonyl)benzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 25094337
1-[4-[[2-Tert-butyl-5-(4-fluorophenyl)sulfonylbenzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 25094611
1-[4-[[2-Tert-butyl-5-(4,4,4-trifluorobutylsulfonyl)benzimidazol-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 57390698
1-[4-[[2-Tert-butyl-5-(4,4,4-trifluorobutylsulfonyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 57399436
1-phenyl-5-(6-propylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-one
CID 70684604
5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one
CID 70693070
1-phenyl-5-(6-propylsulfonyl-1H-benzimidazol-2-yl)piperidin-2-one
CID 71458602
2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2376425
1-phenyl-3-(6-propylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-one;hydrochloride
CID 70684605
6-propylsulfonyl-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 70693067
1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 70693071

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The IUPAC name of 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one (CID 70688848) is 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one is O=c1ccc(-c2nc3ccc(S(=O)(=O)CC(F)(F)F)cc3[nH]2)cn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The InChIKey is ASOXHYLKWBYUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O3S/c21-20(22,23)12-30(28,29)15-7-8-16-17(10-15)25-19(24-16)13-6-9-18(27)26(11-13)14-4-2-1-3-5-14/h1-11H,12H2,(H,24,25).
What are the key properties of 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one has a molecular weight of 433.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 70688848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).