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

C46H38F6N6O4S2 — CID 123523292

IUPAC5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C23H20F3N3O2S.C23H18F3N3O2S/c2*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/h2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;11-5+
InChIKeyJQCYWKNGAMRMOE-QCXXUTHXSA-N
MW916.97 g/mol
LogP10.36
Rot. Bonds9

About 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 123523292) has the molecular formula C46H38F6N6O4S2 and a molecular weight of 916.97 g/mol. Its IUPAC name is 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID123523292
Molecular FormulaC46H38F6N6O4S2
Molecular Weight916.97 g/mol
Exact Mass916.23
IUPAC Name5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C23H20F3N3O2S.C23H18F3N3O2S/c2*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/h2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;11-5+
InChIKeyJQCYWKNGAMRMOE-QCXXUTHXSA-N
XLogP10.36
TPSA177.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.97
LogP ≤ 510.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]-2,5-bis(trifluoromethyl)benzene-1-sulfonamide
CID 23646434
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
6-[2-tert-butyl-5-(2,4-difluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11157370
6-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 11203237
1-Isopropylsulfonyl-2-amino-6-(2-(isopropyl)-5-(4-fluorophenyl)-imidazolyl)-benzimidazole methanesulfonate
CID 11753012
6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 17981636
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
N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53341464
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 123523292) is 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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;5-methyl-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;5-methyl-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.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JQCYWKNGAMRMOE-QCXXUTHXSA-N. The full InChI is InChI=1S/C23H20F3N3O2S.C23H18F3N3O2S/c2*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/h2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b;11-5+.
What are the key properties of 5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-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;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 916.97 g/mol, XLogP of 10.36, 9 rotatable bonds, 4 hydrogen bond donors, and 6 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;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 123523292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).