5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C69H50F15N9O6S3 — CID 123921898

IUPAC5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H17F6N3O2S.C23H15F6N3O2S.C23H18F3N3O2S/c2*24-22(25,26)15-5-1-13(2-6-15)3-10-21-31-18-8-4-14(11-19(18)32-21)17-12-16(23(27,28)29)7-9-20(17)35(30,33)34;1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h1-2,4-9,11-12H,3,10H2,(H,31,32)(H2,30,33,34);1-12H,(H,31,32)(H2,30,33,34);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;10-3+;11-5+
InChIKeyUHKYSWGCAXTRLB-OEGIJNAMSA-N
MW1482.39 g/mol
LogP17.16
Rot. Bonds13

About 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 123921898) has the molecular formula C69H50F15N9O6S3 and a molecular weight of 1482.39 g/mol. Its IUPAC name is 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID123921898
Molecular FormulaC69H50F15N9O6S3
Molecular Weight1482.39 g/mol
Exact Mass1481.28
IUPAC Name5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C23H17F6N3O2S.C23H15F6N3O2S.C23H18F3N3O2S/c2*24-22(25,26)15-5-1-13(2-6-15)3-10-21-31-18-8-4-14(11-19(18)32-21)17-12-16(23(27,28)29)7-9-20(17)35(30,33)34;1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h1-2,4-9,11-12H,3,10H2,(H,31,32)(H2,30,33,34);1-12H,(H,31,32)(H2,30,33,34);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;10-3+;11-5+
InChIKeyUHKYSWGCAXTRLB-OEGIJNAMSA-N
XLogP17.16
TPSA266.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001482.39
LogP ≤ 517.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

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-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007942
3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol-7-yl)-N,N-bis(4-methoxybenzyl)-2-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266302
3-(2-amino-3H-benzimidazol-5-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266451
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
2-Trifluoromethyl-1H-benzimidazol-3-ium naphthalene-1,5-disulfonate
CID 139082933
disilver;bis(2-[3,5-bis(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole);bis(trifluoromethanesulfonate)
CID 139129189
6-[5-phenyl-2-[2-(trifluoromethylsulfanyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981604
6-[5-phenyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981761
6-[5-phenyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 123921898) is 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is Cc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is UHKYSWGCAXTRLB-OEGIJNAMSA-N. The full InChI is InChI=1S/C23H17F6N3O2S.C23H15F6N3O2S.C23H18F3N3O2S/c2*24-22(25,26)15-5-1-13(2-6-15)3-10-21-31-18-8-4-14(11-19(18)32-21)17-12-16(23(27,28)29)7-9-20(17)35(30,33)34;1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h1-2,4-9,11-12H,3,10H2,(H,31,32)(H2,30,33,34);1-12H,(H,31,32)(H2,30,33,34);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;10-3+;11-5+.
What are the key properties of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1482.39 g/mol, XLogP of 17.16, 13 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;4-(trifluoromethyl)-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 123921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).