N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C69H52F3N9O7S3 — CID 158153596

About N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 158153596) has the molecular formula C69H52F3N9O7S3 and a molecular weight of 1272.43 g/mol. Its IUPAC name is N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 158153596
• Molecular Formula: C69H52F3N9O7S3
• Molecular Weight: 1272.43 g/mol
• Exact Mass: 1271.31
• IUPAC Name: N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(C#Cc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.Cc1cccc(C#Cc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)c1.Cc1cccc(C#Cc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)c1
• InChI: InChI=1S/C24H19N3O3S.C23H16F3N3O2S.C22H17N3O2S/c1-16(28)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)27-31(2,29)30;1-15-5-4-6-16(13-15)9-12-22-27-20-11-10-17(14-21(20)28-22)18-7-2-3-8-19(18)29-32(30,31)23(24,25)26;1-15-5-4-6-16(13-15)9-12-22-24-19-11-10-17(14-20(19)25-22)18-7-2-3-8-21(18)28(23,26)27/h3-8,10-13,15,27H,1-2H3,(H,25,26);2-8,10-11,13-14,29H,1H3,(H,27,28);2-8,10-11,13-14H,1H3,(H,24,25)(H2,23,26,27)
• InChIKey: FVKNCVCBUYWKPD-UHFFFAOYSA-N
• XLogP: 12.99
• TPSA: 255.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.43
LogP ≤ 5	12.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The IUPAC name of N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 158153596) is N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The canonical SMILES for N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(C#Cc3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.Cc1cccc(C#Cc2nc3ccc(-c4ccccc4NS(=O)(=O)C(F)(F)F)cc3[nH]2)c1.Cc1cccc(C#Cc2nc3ccc(-c4ccccc4S(N)(=O)=O)cc3[nH]2)c1.

What is the InChIKey of N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

The InChIKey is FVKNCVCBUYWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S.C23H16F3N3O2S.C22H17N3O2S/c1-16(28)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)27-31(2,29)30;1-15-5-4-6-16(13-15)9-12-22-27-20-11-10-17(14-21(20)28-22)18-7-2-3-8-19(18)29-32(30,31)23(24,25)26;1-15-5-4-6-16(13-15)9-12-22-24-19-11-10-17(14-20(19)25-22)18-7-2-3-8-21(18)28(23,26)27/h3-8,10-13,15,27H,1-2H3,(H,25,26);2-8,10-11,13-14,29H,1H3,(H,27,28);2-8,10-11,13-14H,1H3,(H,24,25)(H2,23,26,27).

What are the key properties of N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?

N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1272.43 g/mol, XLogP of 12.99, 9 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide;2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-(3-methylphenyl)ethynyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 158153596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).