4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole

C128H169Br2F3N28 — CID 163714694

About 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole

4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (PubChem CID 163714694) has the molecular formula C128H169Br2F3N28 and a molecular weight of 2316.76 g/mol. Its IUPAC name is 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
• PubChem CID: 163714694
• Molecular Formula: C128H169Br2F3N28
• Molecular Weight: 2316.76 g/mol
• Exact Mass: 2313.24
• IUPAC Name: 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole
• SMILES: CC(C)c1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)CC4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(Br)cccc3n2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCNC(C)C4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(Br)c3n2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)c3n2CC(F)(F)F)N1C
• InChI: InChI=1S/2C26H34BrN5.C26H33F3N6.C26H36N6.C24H32N6/c1-18-7-6-14-28-24(18)21-9-5-11-23(31(21)3)26-29-25-20(27)8-4-10-22(25)32(26)17-19-12-15-30(2)16-13-19;1-18-7-6-14-28-24(18)22-10-5-11-23(31(22)3)26-29-21-9-4-8-20(27)25(21)32(26)17-19-12-15-30(2)16-13-19;1-18-7-6-12-30-23(18)20-9-5-11-22(33(20)3)25-31-19-8-4-10-21(34-15-13-32(2)14-16-34)24(19)35(25)17-26(27,28)29;1-18(2)19-8-7-13-27-24(19)21-10-6-12-23(31(21)4)26-28-20-9-5-11-22(25(20)29-26)32-16-14-30(3)15-17-32;1-16-7-6-12-26-22(16)19-9-5-11-21(29(19)3)24-27-18-8-4-10-20(23(18)28-24)30-14-13-25-17(2)15-30/h4,6-8,10,14,19,21,23H,5,9,11-13,15-17H2,1-3H3;4,6-9,14,19,22-23H,5,10-13,15-17H2,1-3H3;4,6-8,10,12,20,22H,5,9,11,13-17H2,1-3H3;5,7-9,11,13,18,21,23H,6,10,12,14-17H2,1-4H3,(H,28,29);4,6-8,10,12,17,19,21,25H,5,9,11,13-15H2,1-3H3,(H,27,28)/t21-,23+;22-,23+;20-,22+;21-,23+;17?,19-,21+/m00000/s1
• InChIKey: KMIBCIBKYFTUGW-OPAZJDCISA-N
• XLogP: 25.13
• TPSA: 226.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2316.76
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?

The IUPAC name of 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole (CID 163714694) is 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole.

What is the SMILES notation for 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?

The canonical SMILES for 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is CC(C)c1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCN(C)CC4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(Br)cccc3n2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3c(N4CCNC(C)C4)cccc3[nH]2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(Br)c3n2CC2CCN(C)CC2)N1C.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3cccc(N4CCN(C)CC4)c3n2CC(F)(F)F)N1C.

What is the InChIKey of 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?

The InChIKey is KMIBCIBKYFTUGW-OPAZJDCISA-N. The full InChI is InChI=1S/2C26H34BrN5.C26H33F3N6.C26H36N6.C24H32N6/c1-18-7-6-14-28-24(18)21-9-5-11-23(31(21)3)26-29-25-20(27)8-4-10-22(25)32(26)17-19-12-15-30(2)16-13-19;1-18-7-6-14-28-24(18)22-10-5-11-23(31(22)3)26-29-21-9-4-8-20(27)25(21)32(26)17-19-12-15-30(2)16-13-19;1-18-7-6-12-30-23(18)20-9-5-11-22(33(20)3)25-31-19-8-4-10-21(34-15-13-32(2)14-16-34)24(19)35(25)17-26(27,28)29;1-18(2)19-8-7-13-27-24(19)21-10-6-12-23(31(21)4)26-28-20-9-5-11-22(25(20)29-26)32-16-14-30(3)15-17-32;1-16-7-6-12-26-22(16)19-9-5-11-21(29(19)3)24-27-18-8-4-10-20(23(18)28-24)30-14-13-25-17(2)15-30/h4,6-8,10,14,19,21,23H,5,9,11-13,15-17H2,1-3H3;4,6-9,14,19,22-23H,5,10-13,15-17H2,1-3H3;4,6-8,10,12,20,22H,5,9,11,13-17H2,1-3H3;5,7-9,11,13,18,21,23H,6,10,12,14-17H2,1-4H3,(H,28,29);4,6-8,10,12,17,19,21,25H,5,9,11,13-15H2,1-3H3,(H,27,28)/t21-,23+;22-,23+;20-,22+;21-,23+;17?,19-,21+/m00000/s1.

What are the key properties of 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole?

4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole has a molecular weight of 2316.76 g/mol, XLogP of 25.13, 19 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;7-bromo-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-4-(3-methylpiperazin-1-yl)-1H-benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-7-(4-methylpiperazin-1-yl)-1-(2,2,2-trifluoroethyl)benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-(3-propan-2-yl-2-pyridinyl)piperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 163714694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).