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

C19H12F3N3O3S — CID 70693071

IUPAC1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cn1-c1ccccc1
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)29(27,28)14-7-8-15-16(10-14)24-18(23-15)12-6-9-17(26)25(11-12)13-4-2-1-3-5-13/h1-11H,(H,23,24)
InChIKeyTWDJYRDXTHJMHU-UHFFFAOYSA-N
MW419.38 g/mol
LogP3.67
Rot. Bonds3

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

1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one (PubChem CID 70693071) has the molecular formula C19H12F3N3O3S and a molecular weight of 419.38 g/mol. Its IUPAC name is 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
PubChem CID70693071
Molecular FormulaC19H12F3N3O3S
Molecular Weight419.38 g/mol
Exact Mass419.06
IUPAC Name1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
SMILESO=c1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cn1-c1ccccc1
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)29(27,28)14-7-8-15-16(10-14)24-18(23-15)12-6-9-17(26)25(11-12)13-4-2-1-3-5-13/h1-11H,(H,23,24)
InChIKeyTWDJYRDXTHJMHU-UHFFFAOYSA-N
XLogP3.67
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 70688848
1-[4-[[2-Tert-butyl-5-(4-fluorophenyl)sulfonylbenzimidazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 25094611
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
N-{4-[4-(1H-Benzoimidazol-2-yl)-piperidine-1-sulfonyl]-phenyl}-acetamide
CID 645663
1-phenyl-3-(6-propylsulfonyl-1H-benzimidazol-2-yl)pyridin-2-one;hydrochloride
CID 70684605
1-phenyl-3-(6-propylsulfonyl-1H-benzimidazol-2-yl)pyridin-4-one
CID 70695121
Benzimidazole, 5-(methylsulfonyl)-2-(trifluoromethyl)-
CID 197975
N-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methylsulfonyl]phenyl]acetamide
CID 145951322
(E)-3-(4-fluorophenyl)-N-[4-(1-hydroxy-6-methylsulfonylbenzimidazol-2-yl)phenyl]prop-2-enamide
CID 44254768
({2-[(1E)-2-(phenylamino)vinyl]-1,3-diethylbenzimidazol-6-yl}sulfonyl)trifluor omethane
CID 1569381

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The IUPAC name of 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one (CID 70693071) is 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one is O=c1ccc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
The InChIKey is TWDJYRDXTHJMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3S/c20-19(21,22)29(27,28)14-7-8-15-16(10-14)24-18(23-15)12-6-9-17(26)25(11-12)13-4-2-1-3-5-13/h1-11H,(H,23,24).
What are the key properties of 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one?
1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one has a molecular weight of 419.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[6-(trifluoromethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 70693071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).