4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole

C118H146BrF2N27 — CID 157185595

About 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole

4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole (PubChem CID 157185595) has the molecular formula C118H146BrF2N27 and a molecular weight of 2060.55 g/mol. Its IUPAC name is 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole
• PubChem CID: 157185595
• Molecular Formula: C118H146BrF2N27
• Molecular Weight: 2060.55 g/mol
• Exact Mass: 2058.14
• IUPAC Name: 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole
• SMILES: CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ccccn5)N4C)nc23)CC1.CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5Br)N4C)nc23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)N1C
• InChI: InChI=1S/C27H35F2N5.C23H29BrN6.C23H30N6.C23H27N5.C22H25N5/c1-20-8-6-15-30-25(20)23-11-5-12-24(32(23)2)26-31-21-9-3-4-10-22(21)34(26)17-7-16-33-18-13-27(28,29)14-19-33;1-28-12-14-30(15-13-28)19-9-3-7-17-22(19)27-23(26-17)20-10-4-8-18(29(20)2)21-16(24)6-5-11-25-21;1-27-13-15-29(16-14-27)20-10-5-8-18-22(20)26-23(25-18)21-11-6-9-19(28(21)2)17-7-3-4-12-24-17;1-17-9-8-15-25-22(17)20-12-7-13-21(28(20)16-6-2-5-14-24)23-26-18-10-3-4-11-19(18)27-23;1-16-8-7-14-24-21(16)19-11-6-12-20(27(19)15-5-4-13-23)22-25-17-9-2-3-10-18(17)26-22/h3-4,6,8-10,15,23-24H,5,7,11-14,16-19H2,1-2H3;3,5-7,9,11,18,20H,4,8,10,12-15H2,1-2H3,(H,26,27);3-5,7-8,10,12,19,21H,6,9,11,13-16H2,1-2H3,(H,25,26);3-4,8-11,15,20-21H,2,5-7,12-13,16H2,1H3,(H,26,27);2-3,7-10,14,19-20H,4-6,11-12,15H2,1H3,(H,25,26)/t23-,24+;18-,20+;19-,21+;20-,21+;19-,20+/m00000/s1
• InChIKey: APBUSRAZESRRGQ-GLGXPECZSA-N
• XLogP: 23.80
• TPSA: 276.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.55
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole?

The IUPAC name of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole (CID 157185595) is 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole.

What is the SMILES notation for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole?

The canonical SMILES for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole is CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ccccn5)N4C)nc23)CC1.CN1CCN(c2cccc3[nH]c([C@H]4CCC[C@@H](c5ncccc5Br)N4C)nc23)CC1.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3[nH]2)N1CCCCC#N.Cc1cccnc1[C@@H]1CCC[C@H](c2nc3ccccc3n2CCCN2CCC(F)(F)CC2)N1C.

What is the InChIKey of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole?

The InChIKey is APBUSRAZESRRGQ-GLGXPECZSA-N. The full InChI is InChI=1S/C27H35F2N5.C23H29BrN6.C23H30N6.C23H27N5.C22H25N5/c1-20-8-6-15-30-25(20)23-11-5-12-24(32(23)2)26-31-21-9-3-4-10-22(21)34(26)17-7-16-33-18-13-27(28,29)14-19-33;1-28-12-14-30(15-13-28)19-9-3-7-17-22(19)27-23(26-17)20-10-4-8-18(29(20)2)21-16(24)6-5-11-25-21;1-27-13-15-29(16-14-27)20-10-5-8-18-22(20)26-23(25-18)21-11-6-9-19(28(21)2)17-7-3-4-12-24-17;1-17-9-8-15-25-22(17)20-12-7-13-21(28(20)16-6-2-5-14-24)23-26-18-10-3-4-11-19(18)27-23;1-16-8-7-14-24-21(16)19-11-6-12-20(27(19)15-5-4-13-23)22-25-17-9-2-3-10-18(17)26-22/h3-4,6,8-10,15,23-24H,5,7,11-14,16-19H2,1-2H3;3,5-7,9,11,18,20H,4,8,10,12-15H2,1-2H3,(H,26,27);3-5,7-8,10,12,19,21H,6,9,11,13-16H2,1-2H3,(H,25,26);3-4,8-11,15,20-21H,2,5-7,12-13,16H2,1H3,(H,26,27);2-3,7-10,14,19-20H,4-6,11-12,15H2,1H3,(H,25,26)/t23-,24+;18-,20+;19-,21+;20-,21+;19-,20+/m00000/s1.

What are the key properties of 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole?

4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole has a molecular weight of 2060.55 g/mol, XLogP of 23.80, 23 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]butanenitrile;5-[(2R,6S)-2-(1H-benzimidazol-2-yl)-6-(3-methyl-2-pyridinyl)piperidin-1-yl]pentanenitrile;2-[(2R,6S)-6-(3-bromo-2-pyridinyl)-1-methylpiperidin-2-yl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole;1-[3-(4,4-difluoropiperidin-1-yl)propyl]-2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazole;4-(4-methylpiperazin-1-yl)-2-[(2R,6S)-1-methyl-6-pyridin-2-ylpiperidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 157185595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).