2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C24H17F6N3O2S — CID 59008046

IUPAC2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S/c1-31-36(34,35)21-5-3-2-4-17(21)14-6-10-19-20(13-14)33-22(32-19)11-7-15-12-16(23(25,26)27)8-9-18(15)24(28,29)30/h2-13,31H,1H3,(H,32,33)/b11-7+
InChIKeyWGRANAJJRZFHDA-YRNVUSSQSA-N
MW525.47 g/mol
LogP6.35
Rot. Bonds5

About 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 59008046) has the molecular formula C24H17F6N3O2S and a molecular weight of 525.47 g/mol. Its IUPAC name is 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID59008046
Molecular FormulaC24H17F6N3O2S
Molecular Weight525.47 g/mol
Exact Mass525.09
IUPAC Name2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S/c1-31-36(34,35)21-5-3-2-4-17(21)14-6-10-19-20(13-14)33-22(32-19)11-7-15-12-16(23(25,26)27)8-9-18(15)24(28,29)30/h2-13,31H,1H3,(H,32,33)/b11-7+
InChIKeyWGRANAJJRZFHDA-YRNVUSSQSA-N
XLogP6.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.47
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,5-Tri-substituted imidazole, 6b
CID 24825345
3-(2-amino-3H-benzimidazol-4-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266485
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
6-ethylsulfonyl-2-(4-methyl-3-phenylphenyl)-1H-benzimidazole
CID 70688847
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
6-[5-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10436869
4''-{(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-[1-(propane-2-sulfonyl)-piperidin-4-ylidene]-methyl}-biphenyl-3-carbonitrile
CID 11592317
3-[4-[2-[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-6-propan-2-ylsulfonyl-6-azaspiro[2.5]octan-2-yl]phenyl]benzonitrile
CID 11635715
4''-[(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-(1-methanesulfonyl-piperidin-4-ylidene)-methyl]-biphenyl-3-carbonitrile
CID 11656916
2-phenyl-N-(4-propan-2-ylphenyl)-3H-benzimidazole-5-sulfonamide
CID 15989568
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
N-[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24758928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 59008046) is 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is WGRANAJJRZFHDA-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H17F6N3O2S/c1-31-36(34,35)21-5-3-2-4-17(21)14-6-10-19-20(13-14)33-22(32-19)11-7-15-12-16(23(25,26)27)8-9-18(15)24(28,29)30/h2-13,31H,1H3,(H,32,33)/b11-7+.
What are the key properties of 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 525.47 g/mol, XLogP of 6.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).