N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

C70H57ClF3N7O8S3 — CID 158629913

IUPACN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H22N2O3S.C24H20N2O3S.C22H15ClF3N3O2S/c2*1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26/h3-16,27H,1-2H3,(H,25,26);3-15H,1-2H3,(H,25,26);1-13,29H,(H,27,28)/b2*14-9+;12-7+
InChIKeyHZBGHMVIYFOQIW-SXOXHTPISA-N
MW1312.91 g/mol
LogP16.18
Rot. Bonds15

About N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone

N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (PubChem CID 158629913) has the molecular formula C70H57ClF3N7O8S3 and a molecular weight of 1312.91 g/mol. Its IUPAC name is N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound NameN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
PubChem CID158629913
Molecular FormulaC70H57ClF3N7O8S3
Molecular Weight1312.91 g/mol
Exact Mass1311.31
IUPAC NameN-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H22N2O3S.C24H20N2O3S.C22H15ClF3N3O2S/c2*1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26/h3-16,27H,1-2H3,(H,25,26);3-15H,1-2H3,(H,25,26);1-13,29H,(H,27,28)/b2*14-9+;12-7+
InChIKeyHZBGHMVIYFOQIW-SXOXHTPISA-N
XLogP16.18
TPSA237.79 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001312.91
LogP ≤ 516.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone 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
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-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157346210
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
2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-[2-[2-[(E)-2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(3-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 157726692
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
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 157811632
1-[2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone;1,1,1-trifluoro-N-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 157963546
2-[2-[2-(4-chlorophenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 158044442

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The IUPAC name of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone (CID 158629913) is N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone.
What is the SMILES notation for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The canonical SMILES for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.CC(O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(S(C)(=O)=O)cc3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3ccc(Cl)cc3)[nH]c2c1)C(F)(F)F.
What is the InChIKey of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
The InChIKey is HZBGHMVIYFOQIW-SXOXHTPISA-N. The full InChI is InChI=1S/C24H22N2O3S.C24H20N2O3S.C22H15ClF3N3O2S/c2*1-16(27)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)30(2,28)29;23-16-9-5-14(6-10-16)7-12-21-27-19-11-8-15(13-20(19)28-21)17-3-1-2-4-18(17)29-32(30,31)22(24,25)26/h3-16,27H,1-2H3,(H,25,26);3-15H,1-2H3,(H,25,26);1-13,29H,(H,27,28)/b2*14-9+;12-7+.
What are the key properties of N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone?
N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone has a molecular weight of 1312.91 g/mol, XLogP of 16.18, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol;1-[2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 158629913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).