N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid

C62H46F6N8O7S — CID 158596273

About N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid

N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 158596273) has the molecular formula C62H46F6N8O7S and a molecular weight of 1161.15 g/mol. Its IUPAC name is N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

• Compound Name: N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
• PubChem CID: 158596273
• Molecular Formula: C62H46F6N8O7S
• Molecular Weight: 1161.15 g/mol
• Exact Mass: 1160.31
• IUPAC Name: N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
• SMILES: CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.O=C(O)c1cccc(-c2noc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccc(C(F)(F)F)cc3)n2)c1
• InChI: InChI=1S/C33H29F3N4O4S.C29H17F3N4O3/c1-2-3-5-14-30(41)39-45(43,44)29-13-9-8-12-26(29)38-32(42)23-15-20-28-27(21-23)37-31(22-10-6-4-7-11-22)40(28)25-18-16-24(17-19-25)33(34,35)36;30-29(31,32)21-10-12-22(13-11-21)36-24-14-9-19(16-23(24)33-26(36)17-5-2-1-3-6-17)27-34-25(35-39-27)18-7-4-8-20(15-18)28(37)38/h4,6-13,15-21H,2-3,5,14H2,1H3,(H,38,42)(H,39,41);1-16H,(H,37,38)
• InChIKey: HVBKKOVMZXSJAT-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 204.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1161.15
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid?

The IUPAC name of N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid (CID 158596273) is N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid.

What is the SMILES notation for N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid?

The canonical SMILES for N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid is CCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(C(F)(F)F)cc1.O=C(O)c1cccc(-c2noc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccc(C(F)(F)F)cc3)n2)c1.

What is the InChIKey of N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid?

The InChIKey is HVBKKOVMZXSJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F3N4O4S.C29H17F3N4O3/c1-2-3-5-14-30(41)39-45(43,44)29-13-9-8-12-26(29)38-32(42)23-15-20-28-27(21-23)37-31(22-10-6-4-7-11-22)40(28)25-18-16-24(17-19-25)33(34,35)36;30-29(31,32)21-10-12-22(13-11-21)36-24-14-9-19(16-23(24)33-26(36)17-5-2-1-3-6-17)27-34-25(35-39-27)18-7-4-8-20(15-18)28(37)38/h4,6-13,15-21H,2-3,5,14H2,1H3,(H,38,42)(H,39,41);1-16H,(H,37,38).

What are the key properties of N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid?

N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 1161.15 g/mol, XLogP of 14.48, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(hexanoylsulfamoyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide;3-[5-[2-phenyl-1-[4-(trifluoromethyl)phenyl]benzimidazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 158596273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).