2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C70H51F14N9O6S3 — CID 158412723

IUPAC2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S.2C23H17F4N3O2S/c1-31-36(34,35)21-5-3-2-4-18(21)15-7-8-19-20(12-15)33-22(32-19)9-6-14-10-16(23(25,26)27)13-17(11-14)24(28,29)30;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27;1-28-33(31,32)21-5-3-2-4-16(21)15-8-10-19-20(13-15)30-22(29-19)11-7-14-6-9-18(24)17(12-14)23(25,26)27/h2-13,31H,1H3,(H,32,33);2*2-13,28H,1H3,(H,29,30)/b9-6+;12-10+;11-7+
InChIKeyGZMWGDLHCIJRQD-CPMVDNAWSA-N
MW1476.41 g/mol
LogP17.28
Rot. Bonds15

About 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 158412723) has the molecular formula C70H51F14N9O6S3 and a molecular weight of 1476.41 g/mol. Its IUPAC name is 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID158412723
Molecular FormulaC70H51F14N9O6S3
Molecular Weight1476.41 g/mol
Exact Mass1475.29
IUPAC Name2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S.2C23H17F4N3O2S/c1-31-36(34,35)21-5-3-2-4-18(21)15-7-8-19-20(12-15)33-22(32-19)9-6-14-10-16(23(25,26)27)13-17(11-14)24(28,29)30;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27;1-28-33(31,32)21-5-3-2-4-16(21)15-8-10-19-20(13-15)30-22(29-19)11-7-14-6-9-18(24)17(12-14)23(25,26)27/h2-13,31H,1H3,(H,32,33);2*2-13,28H,1H3,(H,29,30)/b9-6+;12-10+;11-7+
InChIKeyGZMWGDLHCIJRQD-CPMVDNAWSA-N
XLogP17.28
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.41
LogP ≤ 517.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

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
1-Isopropylsulfonyl-2-amino-6-(2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole methanesulfonate
CID 17981639
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341467
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007841
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900
1-cyclopentylsulfonyl-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]benzimidazol-2-amine;methanesulfonic acid
CID 11366072
N-benzyl-6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-methyl-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 44456218
6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-N-ethyl-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 44456257
N'-propan-2-yl-2-[4-[[4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]sulfonylamino]phenyl]-3H-benzimidazole-5-carboximidamide
CID 44583295

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 158412723) is 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)c(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is GZMWGDLHCIJRQD-CPMVDNAWSA-N. The full InChI is InChI=1S/C24H17F6N3O2S.2C23H17F4N3O2S/c1-31-36(34,35)21-5-3-2-4-18(21)15-7-8-19-20(12-15)33-22(32-19)9-6-14-10-16(23(25,26)27)13-17(11-14)24(28,29)30;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27;1-28-33(31,32)21-5-3-2-4-16(21)15-8-10-19-20(13-15)30-22(29-19)11-7-14-6-9-18(24)17(12-14)23(25,26)27/h2-13,31H,1H3,(H,32,33);2*2-13,28H,1H3,(H,29,30)/b9-6+;12-10+;11-7+.
What are the key properties of 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 1476.41 g/mol, XLogP of 17.28, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 158412723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).