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

C71H56F9N7O9S3 — CID 158212842

IUPAC2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(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
InChIInChI=1S/C24H21F3N2O3S.C24H19F3N2O3S.C23H16F3N3O3S/c2*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)33(31,32)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/h2-7,9-12,14-15,30H,8,13H2,1H3,(H,28,29);2-15,30H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b;13-8+;12-7+
InChIKeyGCGZWUXFAWSLSM-FOSOQABASA-N
MW1418.45 g/mol
LogP15.90
Rot. Bonds16

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

2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol (PubChem CID 158212842) has the molecular formula C71H56F9N7O9S3 and a molecular weight of 1418.45 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol
PubChem CID158212842
Molecular FormulaC71H56F9N7O9S3
Molecular Weight1418.45 g/mol
Exact Mass1417.32
IUPAC Name2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(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
InChIInChI=1S/C24H21F3N2O3S.C24H19F3N2O3S.C23H16F3N3O3S/c2*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)33(31,32)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/h2-7,9-12,14-15,30H,8,13H2,1H3,(H,28,29);2-15,30H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b;13-8+;12-7+
InChIKeyGCGZWUXFAWSLSM-FOSOQABASA-N
XLogP15.90
TPSA272.01 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001418.45
LogP ≤ 515.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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

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Related Compounds

1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 53345443
1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 59008095
1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 67165201
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
1-[2-[2-[2-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 124011473
[(2R)-1-amino-1-[5-[2-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)-1-hydroxy-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyliminopropan-2-yl] 5-[2-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)-1-hydroxy-3-oxoprop-1-enyl]-2-fluorobenzenesulfonate
CID 147686752
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The IUPAC name of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol (CID 158212842) is 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol is CC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(=O)(=O)C(F)(F)F)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(CCc3ccc(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.
What is the InChIKey of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The InChIKey is GCGZWUXFAWSLSM-FOSOQABASA-N. The full InChI is InChI=1S/C24H21F3N2O3S.C24H19F3N2O3S.C23H16F3N3O3S/c2*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)33(31,32)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/h2-7,9-12,14-15,30H,8,13H2,1H3,(H,28,29);2-15,30H,1H3,(H,28,29);1-13H,(H2,27,30)(H,28,29)/b;13-8+;12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol has a molecular weight of 1418.45 g/mol, XLogP of 15.90, 16 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;1-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 158212842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).