2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C47H37F7N6O4S2 — CID 123610507

IUPAC2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S.C23H17F4N3O2S/c1-15-11-16(13-18(12-15)24(25,26)27)7-10-23-29-20-9-8-17(14-21(20)30-23)19-5-3-4-6-22(19)33(31,32)28-2;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27/h3-14,28H,1-2H3,(H,29,30);2-13,28H,1H3,(H,29,30)/b10-7+;12-10+
InChIKeyHYWBTMYTMWBCRK-QNODLDDCSA-N
MW946.97 g/mol
LogP11.10
Rot. Bonds10

About 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 123610507) has the molecular formula C47H37F7N6O4S2 and a molecular weight of 946.97 g/mol. Its IUPAC name is 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID123610507
Molecular FormulaC47H37F7N6O4S2
Molecular Weight946.97 g/mol
Exact Mass946.22
IUPAC Name2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1
InChIInChI=1S/C24H20F3N3O2S.C23H17F4N3O2S/c1-15-11-16(13-18(12-15)24(25,26)27)7-10-23-29-20-9-8-17(14-21(20)30-23)19-5-3-4-6-22(19)33(31,32)28-2;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27/h3-14,28H,1-2H3,(H,29,30);2-13,28H,1H3,(H,29,30)/b10-7+;12-10+
InChIKeyHYWBTMYTMWBCRK-QNODLDDCSA-N
XLogP11.10
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.97
LogP ≤ 511.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
6-[5-phenyl-2-[2-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 10436869
6-[2-tert-butyl-5-(2,4-difluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 11157370
6-[2-ethyl-5-(4-fluorophenyl)-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 11203237
1-Isopropylsulfonyl-2-amino-6-(2-(isopropyl)-5-(4-fluorophenyl)-imidazolyl)-benzimidazole methanesulfonate
CID 11753012
6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 17981636
1-Isopropylsulfonyl-2-amino-6-(2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole methanesulfonate
CID 17981639
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341467
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007841
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 123610507) is 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(C)cc(C(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3F)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is HYWBTMYTMWBCRK-QNODLDDCSA-N. The full InChI is InChI=1S/C24H20F3N3O2S.C23H17F4N3O2S/c1-15-11-16(13-18(12-15)24(25,26)27)7-10-23-29-20-9-8-17(14-21(20)30-23)19-5-3-4-6-22(19)33(31,32)28-2;1-28-33(31,32)20-8-3-2-6-16(20)15-9-11-18-19(13-15)30-21(29-18)12-10-14-5-4-7-17(22(14)24)23(25,26)27/h3-14,28H,1-2H3,(H,29,30);2-13,28H,1H3,(H,29,30)/b10-7+;12-10+.
What are the key properties of 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 946.97 g/mol, XLogP of 11.10, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 123610507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).