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

C72H58F9N9O6S2 — CID 158908807

IUPAC2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=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.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S.C24H20F3N3O.C24H21N3O3S/c1-31-36(34,35)21-5-3-2-4-17(21)15-7-10-19-20(12-15)33-22(32-19)11-8-14-6-9-16(23(25,26)27)13-18(14)24(28,29)30;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/h2-13,31H,1H3,(H,32,33);2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b11-8+;;14-9+
InChIKeyJGJOZUIOSAVYQV-WDFUQAIGSA-N
MW1380.43 g/mol
LogP16.85
Rot. Bonds16

About 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide (PubChem CID 158908807) has the molecular formula C72H58F9N9O6S2 and a molecular weight of 1380.43 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
PubChem CID158908807
Molecular FormulaC72H58F9N9O6S2
Molecular Weight1380.43 g/mol
Exact Mass1379.38
IUPAC Name2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide
SMILESCC(=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.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/C24H17F6N3O2S.C24H20F3N3O.C24H21N3O3S/c1-31-36(34,35)21-5-3-2-4-17(21)15-7-10-19-20(12-15)33-22(32-19)11-8-14-6-9-16(23(25,26)27)13-18(14)24(28,29)30;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/h2-13,31H,1H3,(H,32,33);2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b11-8+;;14-9+
InChIKeyJGJOZUIOSAVYQV-WDFUQAIGSA-N
XLogP16.85
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.43
LogP ≤ 516.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[(Z)-2-[4-[(Z)-2-benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide
CID 5386833
N-[(1S)-1-(4-methyl-1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 87906807
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)-2-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenyl]ethyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 87906835
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
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
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[2-[4-(methanesulfonamido)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[4-(methanesulfonamido)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157202595
4-[2-(4-acetylphenyl)-1,1,1-trifluoropropan-2-yl]-N-[2-amino-4-[2-[3-amino-4-(methylamino)phenyl]-1,1,1-trifluoropropan-2-yl]phenyl]benzamide;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
CID 157210758
2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157346210
1-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]ethanone;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 157425561
2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(1H-indol-6-yl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;4-[(E)-2-[6-[2-(methylsulfamoyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]benzoic acid
CID 157571744

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide (CID 158908807) is 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide is 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.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide?
The InChIKey is JGJOZUIOSAVYQV-WDFUQAIGSA-N. The full InChI is InChI=1S/C24H17F6N3O2S.C24H20F3N3O.C24H21N3O3S/c1-31-36(34,35)21-5-3-2-4-17(21)15-7-10-19-20(12-15)33-22(32-19)11-8-14-6-9-16(23(25,26)27)13-18(14)24(28,29)30;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/h2-13,31H,1H3,(H,32,33);2-7,9-12,14H,8,13H2,1H3,(H,28,31)(H,29,30);3-15,25H,1-2H3,(H,26,27)/b11-8+;;14-9+.
What are the key properties of 2-[2-[(E)-2-(4-acetylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide has a molecular weight of 1380.43 g/mol, XLogP of 16.85, 16 rotatable bonds, 6 hydrogen bond donors, and 9 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;2-[2-[(E)-2-[2,4-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 158908807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).