N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

C70H51ClF9N7O4S — CID 161183774

About N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (PubChem CID 161183774) has the molecular formula C70H51ClF9N7O4S and a molecular weight of 1292.72 g/mol. Its IUPAC name is N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
• PubChem CID: 161183774
• Molecular Formula: C70H51ClF9N7O4S
• Molecular Weight: 1292.72 g/mol
• Exact Mass: 1291.33
• IUPAC Name: N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3cccc(Cl)c3)[nH]c2c1)C(F)(F)F
• InChI: InChI=1S/C24H19F3N2O.C24H17F3N2O.C22H15ClF3N3O2S/c2*1-15(30)19-7-2-3-8-20(19)17-10-11-21-22(14-17)29-23(28-21)12-9-16-5-4-6-18(13-16)24(25,26)27;23-16-5-3-4-14(12-16)8-11-21-27-19-10-9-15(13-20(19)28-21)17-6-1-2-7-18(17)29-32(30,31)22(24,25)26/h2-15,30H,1H3,(H,28,29);2-14H,1H3,(H,28,29);1-13,29H,(H,27,28)/b2*12-9+;11-8+
• InChIKey: USUYWHBXNVDBGL-UIYPWSQHSA-N
• XLogP: 19.41
• TPSA: 169.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1292.72
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?

The IUPAC name of N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (CID 161183774) is N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.

What is the SMILES notation for N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?

The canonical SMILES for N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3cccc(Cl)c3)[nH]c2c1)C(F)(F)F.

What is the InChIKey of N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?

The InChIKey is USUYWHBXNVDBGL-UIYPWSQHSA-N. The full InChI is InChI=1S/C24H19F3N2O.C24H17F3N2O.C22H15ClF3N3O2S/c2*1-15(30)19-7-2-3-8-20(19)17-10-11-21-22(14-17)29-23(28-21)12-9-16-5-4-6-18(13-16)24(25,26)27;23-16-5-3-4-14(12-16)8-11-21-27-19-10-9-15(13-20(19)28-21)17-6-1-2-7-18(17)29-32(30,31)22(24,25)26/h2-15,30H,1H3,(H,28,29);2-14H,1H3,(H,28,29);1-13,29H,(H,27,28)/b2*12-9+;11-8+.

What are the key properties of N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?

N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone has a molecular weight of 1292.72 g/mol, XLogP of 19.41, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 161183774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).