5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one

C22H21N3O3S — CID 70693070

IUPAC5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one
SMILESCC(C)(C)S(=O)(=O)c1ccc2nc(-c3ccc(=O)n(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C22H21N3O3S/c1-22(2,3)29(27,28)17-10-11-18-19(13-17)24-21(23-18)15-9-12-20(26)25(14-15)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,24)
InChIKeyAYWOBRMICRHNEJ-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.95
Rot. Bonds3

About 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one

5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one (PubChem CID 70693070) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one
PubChem CID70693070
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one
SMILESCC(C)(C)S(=O)(=O)c1ccc2nc(-c3ccc(=O)n(-c4ccccc4)c3)[nH]c2c1
InChIInChI=1S/C22H21N3O3S/c1-22(2,3)29(27,28)17-10-11-18-19(13-17)24-21(23-18)15-9-12-20(26)25(14-15)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,24)
InChIKeyAYWOBRMICRHNEJ-UHFFFAOYSA-N
XLogP3.95
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Denibulin
CID 11661758
Oxfendazole sulfone
CID 162136
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CID 24750597
1-phenyl-5-[6-(2,2,2-trifluoroethylsulfonyl)-1H-benzimidazol-2-yl]pyridin-2-one
CID 70688848
2-(3-phenylpiperidin-1-yl)-6-propylsulfonyl-1H-benzimidazole
CID 71458601
1-[4-[(2-Tert-butyl-5-ethylsulfonylbenzimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 25094334
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
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
N-{4-[4-(5-Methyl-1H-benzoimidazol-2-yl)-piperidine-1-sulfonyl]-phenyl}-acetamide
CID 647092
N-{4-[4-(1-Isobutyl-1H-benzoimidazol-2-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 1462264

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one?
The IUPAC name of 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one (CID 70693070) is 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one is CC(C)(C)S(=O)(=O)c1ccc2nc(-c3ccc(=O)n(-c4ccccc4)c3)[nH]c2c1.
What is the InChIKey of 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one?
The InChIKey is AYWOBRMICRHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-22(2,3)29(27,28)17-10-11-18-19(13-17)24-21(23-18)15-9-12-20(26)25(14-15)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,23,24).
What are the key properties of 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one?
5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one has a molecular weight of 407.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butylsulfonyl-1H-benzimidazol-2-yl)-1-phenylpyridin-2-one is sourced from PubChem (CID 70693070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).