2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

C71H50F9N7O5S3 — CID 160782496

IUPAC2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H17F3N2O3S.C24H17F3N2OS.C23H16F3N3OS/c1-15(30)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)33(31,32)24(25,26)27;1-15(30)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)31-24(25,26)27;24-23(25,26)31-16-9-5-14(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/h2-14H,1H3,(H,28,29);2-14H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b2*13-8+;12-7+
InChIKeySATJPBYDYXDXIC-LFWHTJJSSA-N
MW1348.41 g/mol
LogP19.22
Rot. Bonds15

About 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (PubChem CID 160782496) has the molecular formula C71H50F9N7O5S3 and a molecular weight of 1348.41 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
PubChem CID160782496
Molecular FormulaC71H50F9N7O5S3
Molecular Weight1348.41 g/mol
Exact Mass1347.29
IUPAC Name2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C24H17F3N2O3S.C24H17F3N2OS.C23H16F3N3OS/c1-15(30)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)33(31,32)24(25,26)27;1-15(30)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)31-24(25,26)27;24-23(25,26)31-16-9-5-14(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/h2-14H,1H3,(H,28,29);2-14H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b2*13-8+;12-7+
InChIKeySATJPBYDYXDXIC-LFWHTJJSSA-N
XLogP19.22
TPSA197.41 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.41
LogP ≤ 519.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone with MolForge

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Related Compounds

3-acetamido-N-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]thiophen-2-yl]phenyl]benzamide
CID 44523583
US10508088, Example 36-5
CID 134459698
4-[[2-[3-[[3-[5-[(4-sulfophenyl)carbamoyl]-1H-benzimidazol-2-yl]phenyl]carbamoylamino]phenyl]-1H-benzimidazole-5-carbonyl]amino]benzenesulfonic acid
CID 135488178
2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
CID 24759369
1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24759370
1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 24759371
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
CID 24759481
N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 53345978
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 58381560
2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
CID 67163598
1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 67165499
2-[2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide
CID 67166014

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (CID 160782496) is 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The canonical SMILES for 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1.NC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The InChIKey is SATJPBYDYXDXIC-LFWHTJJSSA-N. The full InChI is InChI=1S/C24H17F3N2O3S.C24H17F3N2OS.C23H16F3N3OS/c1-15(30)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)33(31,32)24(25,26)27;1-15(30)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)31-24(25,26)27;24-23(25,26)31-16-9-5-14(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/h2-14H,1H3,(H,28,29);2-14H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b2*13-8+;12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone has a molecular weight of 1348.41 g/mol, XLogP of 19.22, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 160782496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).