2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol

C70H51F9N8O9S3 — CID 158684285

IUPAC2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O3S.C23H16F3N3O3S.C23H17F3N2O3S/c1-15(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)34(32,33)24(25,26)27;24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30;24-23(25,26)32(30,31)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h2-14H,1H3,(H,28,31)(H,29,30);1-13H,(H2,27,30)(H,28,29);1-13,29H,14H2,(H,27,28)/b13-8+;2*12-7+
InChIKeyIFNMTGTZOIVRIF-DDABGAJQSA-N
MW1415.41 g/mol
LogP15.63
Rot. Bonds15

About 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol

2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol (PubChem CID 158684285) has the molecular formula C70H51F9N8O9S3 and a molecular weight of 1415.41 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
PubChem CID158684285
Molecular FormulaC70H51F9N8O9S3
Molecular Weight1415.41 g/mol
Exact Mass1414.28
IUPAC Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1)C(F)(F)F
InChIInChI=1S/C24H18F3N3O3S.C23H16F3N3O3S.C23H17F3N2O3S/c1-15(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)34(32,33)24(25,26)27;24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30;24-23(25,26)32(30,31)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h2-14H,1H3,(H,28,31)(H,29,30);1-13H,(H2,27,30)(H,28,29);1-13,29H,14H2,(H,27,28)/b13-8+;2*12-7+
InChIKeyIFNMTGTZOIVRIF-DDABGAJQSA-N
XLogP15.63
TPSA280.88 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001415.41
LogP ≤ 515.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol with MolForge

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Related Compounds

1-[2-[2-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123387626
2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;1-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 123666184
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
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 157219034
2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157380535
1-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]ethanone;N-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157396407
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide
CID 157404157
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-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157619341
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide;1,1,1-trifluoro-N-[4-[(E)-2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 157777999
6-(2-methylsulfanylphenyl)-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;6-[2-(trifluoromethyl)phenyl]-2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-benzimidazole
CID 157799162
2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[2-(4-methylsulfonylphenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157940956

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
The IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol (CID 158684285) is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol.
What is the SMILES notation for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
The canonical SMILES for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol is CC(=O)Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.O=S(=O)(c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1)C(F)(F)F.
What is the InChIKey of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
The InChIKey is IFNMTGTZOIVRIF-DDABGAJQSA-N. The full InChI is InChI=1S/C24H18F3N3O3S.C23H16F3N3O3S.C23H17F3N2O3S/c1-15(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)34(32,33)24(25,26)27;24-23(25,26)33(31,32)16-9-5-14(6-10-16)7-12-21-28-19-11-8-15(13-20(19)29-21)17-3-1-2-4-18(17)22(27)30;24-23(25,26)32(30,31)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h2-14H,1H3,(H,28,31)(H,29,30);1-13H,(H2,27,30)(H,28,29);1-13,29H,14H2,(H,27,28)/b13-8+;2*12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol has a molecular weight of 1415.41 g/mol, XLogP of 15.63, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]acetamide;[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 158684285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).