2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide

C72H59F6N9O5S — CID 159360689

IUPAC2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O.C24H18F3N3O.C24H21N3O3S/c2*1-15(31)28-20-5-3-2-4-19(20)17-9-12-21-22(14-17)30-23(29-21)13-8-16-6-10-18(11-7-16)24(25,26)27;1-16(28)18-10-7-17(8-11-18)9-14-24-26-21-13-12-19(15-22(21)27-24)20-5-3-4-6-23(20)31(29,30)25-2/h2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);2-14H,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b;13-8+;14-9+
InChIKeyLIMPZDQEFKXEML-PUYJXHGDSA-N
MW1276.38 g/mol
LogP16.88
Rot. Bonds15

About 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide

2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide (PubChem CID 159360689) has the molecular formula C72H59F6N9O5S and a molecular weight of 1276.38 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
PubChem CID159360689
Molecular FormulaC72H59F6N9O5S
Molecular Weight1276.38 g/mol
Exact Mass1275.43
IUPAC Name2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)=O)cc3)[nH]c2c1
InChIInChI=1S/C24H20F3N3O.C24H18F3N3O.C24H21N3O3S/c2*1-15(31)28-20-5-3-2-4-19(20)17-9-12-21-22(14-17)30-23(29-21)13-8-16-6-10-18(11-7-16)24(25,26)27;1-16(28)18-10-7-17(8-11-18)9-14-24-26-21-13-12-19(15-22(21)27-24)20-5-3-4-6-23(20)31(29,30)25-2/h2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);2-14H,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b;13-8+;14-9+
InChIKeyLIMPZDQEFKXEML-PUYJXHGDSA-N
XLogP16.88
TPSA207.48 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001276.38
LogP ≤ 516.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide with MolForge

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Related Compounds

N-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-4-(indolin-1-ylsulfonyl)benzamide
CID 4402313
4-phenyl-N-[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide
CID 21879071
N-[(2-methylsulfonylphenyl)methyl]-4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 44524110
N-[(2-methylsulfonylphenyl)methyl]-3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 44524112
4-phenyl-N-[(1S)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide
CID 11607419
[(2S)-2-[6-[4-[2-[(2S)-1-(4-fluorobenzoyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 67889174
N-[6-[3-(methylamino)propyl]-1H-benzimidazol-2-yl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 68791584
N-[(1S)-2-[4-[(5S)-1,1-dihydroxy-3-oxo-1,2-thiazolidin-5-yl]phenyl]-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]-4-phenylbenzenesulfonamide
CID 69597722
4-phenyl-N-[(1S)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
CID 69597723
4-phenyl-N-[(1S)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-[4-[(5R)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]benzenesulfonamide
CID 87906556
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
2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123610507

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The IUPAC name of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide (CID 159360689) is 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(=O)Nc1ccccc1-c1ccc2nc(CCc3ccc(C(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(C)=O)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The InChIKey is LIMPZDQEFKXEML-PUYJXHGDSA-N. The full InChI is InChI=1S/C24H20F3N3O.C24H18F3N3O.C24H21N3O3S/c2*1-15(31)28-20-5-3-2-4-19(20)17-9-12-21-22(14-17)30-23(29-21)13-8-16-6-10-18(11-7-16)24(25,26)27;1-16(28)18-10-7-17(8-11-18)9-14-24-26-21-13-12-19(15-22(21)27-24)20-5-3-4-6-23(20)31(29,30)25-2/h2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);2-14H,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b;13-8+;14-9+.
What are the key properties of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide has a molecular weight of 1276.38 g/mol, XLogP of 16.88, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 159360689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).