2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline

C121H143Cl2N25O2 — CID 159306057

About 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline

2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline (PubChem CID 159306057) has the molecular formula C121H143Cl2N25O2 and a molecular weight of 2050.55 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline.

Molecular Properties

• Compound Name: 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline
• PubChem CID: 159306057
• Molecular Formula: C121H143Cl2N25O2
• Molecular Weight: 2050.55 g/mol
• Exact Mass: 2048.12
• IUPAC Name: 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline
• SMILES: COc1ccc(CN2CCC(n3c([C@@H]4CCNC4)nc4ccccc43)CC2)cn1.COc1ccc2nc(Cl)c(CN3CCC(n4c([C@@H]5CCNC5)nc5ccccc54)CC3)cc2c1.Cc1cccc(CN2CCC(n3c([C@@H]4CCNC4)nc4ccccc43)CC2)n1.Clc1ncccc1CN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1.c1ccc2ncc(CN3CCC(n4c([C@@H]5CCNC5)nc5ccccc54)CC3)cc2c1
• InChI: InChI=1S/C27H30ClN5O.C26H29N5.C23H29N5O.C23H29N5.C22H26ClN5/c1-34-22-6-7-23-19(15-22)14-20(26(28)30-23)17-32-12-9-21(10-13-32)33-25-5-3-2-4-24(25)31-27(33)18-8-11-29-16-18;1-2-6-23-20(5-1)15-19(16-28-23)18-30-13-10-22(11-14-30)31-25-8-4-3-7-24(25)29-26(31)21-9-12-27-17-21;1-29-22-7-6-17(14-25-22)16-27-12-9-19(10-13-27)28-21-5-3-2-4-20(21)26-23(28)18-8-11-24-15-18;1-17-5-4-6-19(25-17)16-27-13-10-20(11-14-27)28-22-8-3-2-7-21(22)26-23(28)18-9-12-24-15-18;23-21-17(4-3-10-25-21)15-27-12-8-18(9-13-27)28-20-6-2-1-5-19(20)26-22(28)16-7-11-24-14-16/h2-7,14-15,18,21,29H,8-13,16-17H2,1H3;1-8,15-16,21-22,27H,9-14,17-18H2;2-7,14,18-19,24H,8-13,15-16H2,1H3;2-8,18,20,24H,9-16H2,1H3;1-6,10,16,18,24H,7-9,11-15H2/t18-;21-;2*18-;16-/m11111/s1
• InChIKey: LBXXBYXFVYTZAA-OAMGPEBISA-N
• XLogP: 20.67
• TPSA: 248.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.55
LogP ≤ 5	20.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline?

The IUPAC name of 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline (CID 159306057) is 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline.

What is the SMILES notation for 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline?

The canonical SMILES for 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline is COc1ccc(CN2CCC(n3c([C@@H]4CCNC4)nc4ccccc43)CC2)cn1.COc1ccc2nc(Cl)c(CN3CCC(n4c([C@@H]5CCNC5)nc5ccccc54)CC3)cc2c1.Cc1cccc(CN2CCC(n3c([C@@H]4CCNC4)nc4ccccc43)CC2)n1.Clc1ncccc1CN1CCC(n2c([C@@H]3CCNC3)nc3ccccc32)CC1.c1ccc2ncc(CN3CCC(n4c([C@@H]5CCNC5)nc5ccccc54)CC3)cc2c1.

What is the InChIKey of 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline?

The InChIKey is LBXXBYXFVYTZAA-OAMGPEBISA-N. The full InChI is InChI=1S/C27H30ClN5O.C26H29N5.C23H29N5O.C23H29N5.C22H26ClN5/c1-34-22-6-7-23-19(15-22)14-20(26(28)30-23)17-32-12-9-21(10-13-32)33-25-5-3-2-4-24(25)31-27(33)18-8-11-29-16-18;1-2-6-23-20(5-1)15-19(16-28-23)18-30-13-10-22(11-14-30)31-25-8-4-3-7-24(25)29-26(31)21-9-12-27-17-21;1-29-22-7-6-17(14-25-22)16-27-12-9-19(10-13-27)28-21-5-3-2-4-20(21)26-23(28)18-8-11-24-15-18;1-17-5-4-6-19(25-17)16-27-13-10-20(11-14-27)28-22-8-3-2-7-21(22)26-23(28)18-9-12-24-15-18;23-21-17(4-3-10-25-21)15-27-12-8-18(9-13-27)28-20-6-2-1-5-19(20)26-22(28)16-7-11-24-14-16/h2-7,14-15,18,21,29H,8-13,16-17H2,1H3;1-8,15-16,21-22,27H,9-14,17-18H2;2-7,14,18-19,24H,8-13,15-16H2,1H3;2-8,18,20,24H,9-16H2,1H3;1-6,10,16,18,24H,7-9,11-15H2/t18-;21-;2*18-;16-/m11111/s1.

What are the key properties of 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline?

2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline has a molecular weight of 2050.55 g/mol, XLogP of 20.67, 22 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methoxy-3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline;1-[1-[(2-chloro-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;1-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-[(3R)-pyrrolidin-3-yl]benzimidazole;3-[[4-[2-[(3R)-pyrrolidin-3-yl]benzimidazol-1-yl]piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 159306057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).