N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole

C113H93F15N12O13S2 — CID 158477015

About N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole

N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole (PubChem CID 158477015) has the molecular formula C113H93F15N12O13S2 and a molecular weight of 2176.16 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
• PubChem CID: 158477015
• Molecular Formula: C113H93F15N12O13S2
• Molecular Weight: 2176.16 g/mol
• Exact Mass: 2174.62
• IUPAC Name: N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole
• SMILES: CC(OO)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CC(OO)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CN(C)S(=O)(=O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CN(C)S(=O)(=O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.FC(F)(F)c1ccc(OCc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1
• InChI: InChI=1S/2C23H20F3N3O3S.2C23H19F3N2O3.C21H15F3N2O/c1-29(2)33(30,31)19-10-3-15(4-11-19)16-5-12-20-21(13-16)28-22(27-20)14-32-18-8-6-17(7-9-18)23(24,25)26;1-29(2)33(30,31)19-5-3-4-15(12-19)16-6-11-20-21(13-16)28-22(27-20)14-32-18-9-7-17(8-10-18)23(24,25)26;1-14(31-29)15-3-2-4-16(11-15)17-5-10-20-21(12-17)28-22(27-20)13-30-19-8-6-18(7-9-19)23(24,25)26;1-14(31-29)18-4-2-3-5-19(18)15-6-11-20-21(12-15)28-22(27-20)13-30-17-9-7-16(8-10-17)23(24,25)26;22-21(23,24)16-7-9-17(10-8-16)27-13-20-25-18-11-6-15(12-19(18)26-20)14-4-2-1-3-5-14/h2*3-13H,14H2,1-2H3,(H,27,28);2*2-12,14,29H,13H2,1H3,(H,27,28);1-12H,13H2,(H,25,26)
• InChIKey: HHBKHPQUXSAJIL-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 323.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2176.16
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?

The IUPAC name of N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole (CID 158477015) is N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole.

What is the SMILES notation for N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?

The canonical SMILES for N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole is CC(OO)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.CC(OO)c1ccccc1-c1ccc2nc(COc3ccc(C(F)(F)F)cc3)[nH]c2c1.CN(C)S(=O)(=O)c1ccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)cc1.CN(C)S(=O)(=O)c1cccc(-c2ccc3nc(COc4ccc(C(F)(F)F)cc4)[nH]c3c2)c1.FC(F)(F)c1ccc(OCc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1.

What is the InChIKey of N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?

The InChIKey is HHBKHPQUXSAJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20F3N3O3S.2C23H19F3N2O3.C21H15F3N2O/c1-29(2)33(30,31)19-10-3-15(4-11-19)16-5-12-20-21(13-16)28-22(27-20)14-32-18-8-6-17(7-9-18)23(24,25)26;1-29(2)33(30,31)19-5-3-4-15(12-19)16-6-11-20-21(13-16)28-22(27-20)14-32-18-9-7-17(8-10-18)23(24,25)26;1-14(31-29)15-3-2-4-16(11-15)17-5-10-20-21(12-17)28-22(27-20)13-30-19-8-6-18(7-9-19)23(24,25)26;1-14(31-29)18-4-2-3-5-19(18)15-6-11-20-21(12-15)28-22(27-20)13-30-17-9-7-16(8-10-17)23(24,25)26;22-21(23,24)16-7-9-17(10-8-16)27-13-20-25-18-11-6-15(12-19(18)26-20)14-4-2-1-3-5-14/h2*3-13H,14H2,1-2H3,(H,27,28);2*2-12,14,29H,13H2,1H3,(H,27,28);1-12H,13H2,(H,25,26).

What are the key properties of N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole?

N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole has a molecular weight of 2176.16 g/mol, XLogP of 28.74, 28 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N,N-dimethyl-4-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide;6-[2-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-[3-(1-hydroperoxyethyl)phenyl]-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole;6-phenyl-2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 158477015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).