2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)

C103H93Cl8F15N23O11S2+ — CID 158421394

About 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)

2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate) (PubChem CID 158421394) has the molecular formula C103H93Cl8F15N23O11S2+ and a molecular weight of 2461.75 g/mol. Its IUPAC name is 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate).

Molecular Properties

• Compound Name: 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)
• PubChem CID: 158421394
• Molecular Formula: C103H93Cl8F15N23O11S2+
• Molecular Weight: 2461.75 g/mol
• Exact Mass: 2456.41
• IUPAC Name: 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)
• SMILES: CS(=O)(=O)C1CCN(c2ncccc2-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)CC1.CS(=O)(=O)C1CCN(c2ncccc2-c2nc3ccc(Cl)cc3[nH]2)CC1.Clc1cc2nc(-c3ccc[nH+]c3N3CCC(c4nc5ccccc5[nH]4)CC3)[nH]c2cc1Cl.FC(F)(F)C1CCN(c2[nH+]cccc2-c2[nH]c3cc(Cl)c(Cl)cc3[nH+]2)CC1.NC(=O)C1CCN(c2[nH+]cccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
• InChI: InChI=1S/C24H20Cl2N6.C19H18ClF3N4O2S.C18H15Cl2F3N4.C18H17Cl2N5O.C18H19ClN4O2S.3C2HF3O2/c25-16-12-20-21(13-17(16)26)31-23(30-20)15-4-3-9-27-24(15)32-10-7-14(8-11-32)22-28-18-5-1-2-6-19(18)29-22;1-30(28,29)12-4-7-27(8-5-12)18-13(3-2-6-24-18)17-25-15-10-11(19(21,22)23)9-14(20)16(15)26-17;19-12-8-14-15(9-13(12)20)26-16(25-14)11-2-1-5-24-17(11)27-6-3-10(4-7-27)18(21,22)23;19-12-8-14-15(9-13(12)20)24-17(23-14)11-2-1-5-22-18(11)25-6-3-10(4-7-25)16(21)26;1-26(24,25)13-6-9-23(10-7-13)18-14(3-2-8-20-18)17-21-15-5-4-12(19)11-16(15)22-17;3*3-2(4,5)1(6)7/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,30,31);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,26);1-2,5,8-10H,3-4,6-7H2,(H,25,26);1-2,5,8-10H,3-4,6-7H2,(H2,21,26)(H,23,24);2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22);3*(H,6,7)/p+1
• InChIKey: WFRLFZCCSBRTRZ-UHFFFAOYSA-O
• XLogP: 18.71
• TPSA: 489.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.75
LogP ≤ 5	18.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)?

The IUPAC name of 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate) (CID 158421394) is 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate).

What is the SMILES notation for 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)?

The canonical SMILES for 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate) is CS(=O)(=O)C1CCN(c2ncccc2-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)CC1.CS(=O)(=O)C1CCN(c2ncccc2-c2nc3ccc(Cl)cc3[nH]2)CC1.Clc1cc2nc(-c3ccc[nH+]c3N3CCC(c4nc5ccccc5[nH]4)CC3)[nH]c2cc1Cl.FC(F)(F)C1CCN(c2[nH+]cccc2-c2[nH]c3cc(Cl)c(Cl)cc3[nH+]2)CC1.NC(=O)C1CCN(c2[nH+]cccc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.

What is the InChIKey of 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)?

The InChIKey is WFRLFZCCSBRTRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H20Cl2N6.C19H18ClF3N4O2S.C18H15Cl2F3N4.C18H17Cl2N5O.C18H19ClN4O2S.3C2HF3O2/c25-16-12-20-21(13-17(16)26)31-23(30-20)15-4-3-9-27-24(15)32-10-7-14(8-11-32)22-28-18-5-1-2-6-19(18)29-22;1-30(28,29)12-4-7-27(8-5-12)18-13(3-2-6-24-18)17-25-15-10-11(19(21,22)23)9-14(20)16(15)26-17;19-12-8-14-15(9-13(12)20)26-16(25-14)11-2-1-5-24-17(11)27-6-3-10(4-7-27)18(21,22)23;19-12-8-14-15(9-13(12)20)24-17(23-14)11-2-1-5-22-18(11)25-6-3-10(4-7-25)16(21)26;1-26(24,25)13-6-9-23(10-7-13)18-14(3-2-8-20-18)17-21-15-5-4-12(19)11-16(15)22-17;3*3-2(4,5)1(6)7/h1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,30,31);2-3,6,9-10,12H,4-5,7-8H2,1H3,(H,25,26);1-2,5,8-10H,3-4,6-7H2,(H,25,26);1-2,5,8-10H,3-4,6-7H2,(H2,21,26)(H,23,24);2-5,8,11,13H,6-7,9-10H2,1H3,(H,21,22);3*(H,6,7)/p+1.

What are the key properties of 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate)?

2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate) has a molecular weight of 2461.75 g/mol, XLogP of 18.71, 14 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]pyridin-1-ium-3-yl]-5,6-dichloro-1H-benzimidazole;6-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1H-benzimidazole;4-chloro-2-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole;1-[3-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-1-ium-2-yl]piperidine-4-carboxamide;5,6-dichloro-2-[2-[4-(trifluoromethyl)piperidin-1-yl]pyridin-1-ium-3-yl]-1H-benzimidazol-3-ium;tris(2,2,2-trifluoroacetate) is sourced from PubChem (CID 158421394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).