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

C72H62F6N8O6S2 — CID 157425561

IUPAC1-[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
SMILESCC(=O)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1.Cc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C26H24N2O2.C23H20F3N3O2S.C23H18F3N3O2S/c1-17(29)19-11-8-18(9-12-19)10-15-25-27-23-14-13-20(16-24(23)28-25)21-6-4-5-7-22(21)26(2,3)30;2*1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h4-16,30H,1-3H3,(H,27,28);2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b15-10+;;11-5+
InChIKeyBPXMDKKSDDNTEX-HCYAOVMWSA-N
MW1313.46 g/mol
LogP16.19
Rot. Bonds14

About 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

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 (PubChem CID 157425561) has the molecular formula C72H62F6N8O6S2 and a molecular weight of 1313.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157425561
Molecular FormulaC72H62F6N8O6S2
Molecular Weight1313.46 g/mol
Exact Mass1312.41
IUPAC Name1-[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
SMILESCC(=O)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1.Cc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1
InChIInChI=1S/C26H24N2O2.C23H20F3N3O2S.C23H18F3N3O2S/c1-17(29)19-11-8-18(9-12-19)10-15-25-27-23-14-13-20(16-24(23)28-25)21-6-4-5-7-22(21)26(2,3)30;2*1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h4-16,30H,1-3H3,(H,27,28);2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b15-10+;;11-5+
InChIKeyBPXMDKKSDDNTEX-HCYAOVMWSA-N
XLogP16.19
TPSA243.66 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.46
LogP ≤ 516.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

1-[2-[2-[2-[4-(2,2-difluoropropoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone;2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-ethoxyphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 123294107
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
N'-[5-[(E)-2-(1H-benzimidazol-2-yl)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoyl]-2-fluorophenyl]sulfonyl-2-hydroxy-2-methylpropanimidamide
CID 135424929
N'-[5-[(E)-2-(1H-benzimidazol-2-yl)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoyl]-2-fluorophenyl]sulfonyl-2,2-dimethylpropanimidamide
CID 136174546
N-({3-[3-(3,5-difluorophenyl)-2-(1,3-dihydro-2H-benzimidazol-2-ylidene)-3-oxopropanoyl]phenyl}sulfonyl)-2-oxopropanimidamide
CID 136387927
N'-[5-[2-(1H-benzimidazol-2-yl)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoyl]-2-fluorophenyl]sulfonyl-2,2-dimethylpropanimidamide
CID 136606529
[(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'-[5-[2-(1H-benzimidazol-2-yl)-3-(3-fluorophenyl)-3-hydroxyprop-2-enoyl]-2-fluorophenyl]sulfonyl-2-hydroxy-2-methylpropanimidamide
CID 149150058
N'-[5-[2-(1H-benzimidazol-2-yl)-1-hydroxy-3-oxo-3-(2,4,5-trifluorophenyl)prop-1-enyl]-2-fluorophenyl]sulfonyl-2-hydroxy-2-methylpropanimidamide
CID 149150059
N'-[5-[2-(1H-benzimidazol-2-yl)-3-(2,5-difluorophenyl)-1-hydroxy-3-oxoprop-1-enyl]-2-fluorophenyl]sulfonyl-2-hydroxy-2-methylpropanimidamide
CID 149150083
N'-[5-[2-(1H-benzimidazol-2-yl)-3-(3,5-difluorophenyl)-3-hydroxyprop-2-enoyl]-2-fluorophenyl]sulfonyl-2-hydroxy-2-methylpropanimidamide
CID 149150086
3-[2-(1H-benzimidazol-2-yl)-3-(3,5-difluorophenyl)-3-hydroxyprop-2-enoyl]-2-(cyanomethyl)benzenesulfonamide
CID 153838665

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(C)(C)O)cc3[nH]2)cc1.Cc1ccc(-c2ccc3nc(/C=C/c4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.Cc1ccc(-c2ccc3nc(CCc4ccc(C(F)(F)F)cc4)[nH]c3c2)c(S(N)(=O)=O)c1.
What is the InChIKey of 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?
The InChIKey is BPXMDKKSDDNTEX-HCYAOVMWSA-N. The full InChI is InChI=1S/C26H24N2O2.C23H20F3N3O2S.C23H18F3N3O2S/c1-17(29)19-11-8-18(9-12-19)10-15-25-27-23-14-13-20(16-24(23)28-25)21-6-4-5-7-22(21)26(2,3)30;2*1-14-2-9-18(21(12-14)32(27,30)31)16-6-10-19-20(13-16)29-22(28-19)11-5-15-3-7-17(8-4-15)23(24,25)26/h4-16,30H,1-3H3,(H,27,28);2-4,6-10,12-13H,5,11H2,1H3,(H,28,29)(H2,27,30,31);2-13H,1H3,(H,28,29)(H2,27,30,31)/b15-10+;;11-5+.
What are the key properties of 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?
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 has a molecular weight of 1313.46 g/mol, XLogP of 16.19, 14 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157425561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).