N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C69H57F6N11O11S5 — CID 159166084

About N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 159166084) has the molecular formula C69H57F6N11O11S5 and a molecular weight of 1490.60 g/mol. Its IUPAC name is N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 159166084
• Molecular Formula: C69H57F6N11O11S5
• Molecular Weight: 1490.60 g/mol
• Exact Mass: 1489.27
• IUPAC Name: N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CS(=O)(=O)Nc1ccc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1
• InChI: InChI=1S/C24H18F3N3O3S.C23H19F3N4O4S2.C22H20N4O4S2/c1-15(31)19-4-2-3-5-20(19)17-9-12-21-22(14-17)29-23(28-21)13-8-16-6-10-18(11-7-16)30-34(32,33)24(25,26)27;1-35(31,32)29-17-10-6-15(7-11-17)8-13-22-27-20-12-9-16(14-21(20)28-22)18-4-2-3-5-19(18)30-36(33,34)23(24,25)26;1-31(27,28)26-17-10-6-15(7-11-17)8-13-22-24-19-12-9-16(14-20(19)25-22)18-4-2-3-5-21(18)32(23,29)30/h2-14,30H,1H3,(H,28,29);2-14,29-30H,1H3,(H,27,28);2-14,26H,1H3,(H,24,25)(H2,23,29,30)/b3*13-8+
• InChIKey: KLBYJDFVBMOIAM-WXVXHBNASA-N
• XLogP: 14.32
• TPSA: 347.95 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1490.60
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 159166084) is N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccc(/C=C/c2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)cc1.CS(=O)(=O)Nc1ccc(/C=C/c2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)cc1.

What is the InChIKey of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The InChIKey is KLBYJDFVBMOIAM-WXVXHBNASA-N. The full InChI is InChI=1S/C24H18F3N3O3S.C23H19F3N4O4S2.C22H20N4O4S2/c1-15(31)19-4-2-3-5-20(19)17-9-12-21-22(14-17)29-23(28-21)13-8-16-6-10-18(11-7-16)30-34(32,33)24(25,26)27;1-35(31,32)29-17-10-6-15(7-11-17)8-13-22-27-20-12-9-16(14-21(20)28-22)18-4-2-3-5-19(18)30-36(33,34)23(24,25)26;1-31(27,28)26-17-10-6-15(7-11-17)8-13-22-24-19-12-9-16(14-20(19)25-22)18-4-2-3-5-21(18)32(23,29)30/h2-14,30H,1H3,(H,28,29);2-14,29-30H,1H3,(H,27,28);2-14,26H,1H3,(H,24,25)(H2,23,29,30)/b3*13-8+.

What are the key properties of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1490.60 g/mol, XLogP of 14.32, 19 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(methanesulfonamido)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 159166084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).