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

C72H58F9N9O7S3 — CID 160540021

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

N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 160540021) has the molecular formula C72H58F9N9O7S3 and a molecular weight of 1428.49 g/mol. Its IUPAC name is N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• PubChem CID: 160540021
• Molecular Formula: C72H58F9N9O7S3
• Molecular Weight: 1428.49 g/mol
• Exact Mass: 1427.35
• IUPAC Name: N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
• SMILES: CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F
• InChI: InChI=1S/C25H23N3O3S.C24H17F6N3O2S.C23H18F3N3O2S/c1-15(29)19-5-3-4-6-20(19)17-9-12-23-24(13-17)27-25(26-23)22-14-21(22)16-7-10-18(11-8-16)28-32(2,30)31;25-23(26,27)15-5-3-4-13(10-15)17-12-18(17)22-31-20-9-8-14(11-21(20)32-22)16-6-1-2-7-19(16)33-36(34,35)24(28,29)30;24-23(25,26)15-5-3-4-13(10-15)17-12-18(17)22-28-19-9-8-14(11-20(19)29-22)16-6-1-2-7-21(16)32(27,30)31/h3-13,21-22,28H,14H2,1-2H3,(H,26,27);1-11,17-18,33H,12H2,(H,31,32);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)
• InChIKey: QWQVMXHCSXTIKT-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 255.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.49
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 160540021) is N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

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

The canonical SMILES for N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(C3CC3c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F.

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

The InChIKey is QWQVMXHCSXTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S.C24H17F6N3O2S.C23H18F3N3O2S/c1-15(29)19-5-3-4-6-20(19)17-9-12-23-24(13-17)27-25(26-23)22-14-21(22)16-7-10-18(11-8-16)28-32(2,30)31;25-23(26,27)15-5-3-4-13(10-15)17-12-18(17)22-31-20-9-8-14(11-21(20)32-22)16-6-1-2-7-19(16)33-36(34,35)24(28,29)30;24-23(25,26)15-5-3-4-13(10-15)17-12-18(17)22-28-19-9-8-14(11-20(19)29-22)16-6-1-2-7-21(16)32(27,30)31/h3-13,21-22,28H,14H2,1-2H3,(H,26,27);1-11,17-18,33H,12H2,(H,31,32);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31).

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

N-[4-[2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1428.49 g/mol, XLogP of 17.02, 15 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]cyclopropyl]phenyl]methanesulfonamide;2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 160540021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).