lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide

C119H152AlClKLiN20O14 — CID 160942483

About lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide

lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide (PubChem CID 160942483) has the molecular formula C119H152AlClKLiN20O14 and a molecular weight of 2195.12 g/mol. Its IUPAC name is lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide.

Molecular Properties

• Compound Name: lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide
• PubChem CID: 160942483
• Molecular Formula: C119H152AlClKLiN20O14
• Molecular Weight: 2195.12 g/mol
• Exact Mass: 2193.11
• IUPAC Name: lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide
• SMILES: C1CCOC1.CCOC(=O)CCl.CCOC(=O)CN1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2OCc2ccccc2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2OCc2ccccc2)CC1.Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCNCC3)nc3c(C)cccc32)n1.[AlH3].[H-].[K+].[Li+].[OH-]
• InChI: InChI=1S/C31H37N5O3.C30H35N5O3.C27H31N5O.C23H29N5O3.C4H7ClO2.C4H8O.Al.K.Li.H2O.4H/c1-4-38-29(37)20-35-17-15-25(16-18-35)33-31-34-30-22(2)9-8-12-27(30)36(31)19-26-28(14-13-23(3)32-26)39-21-24-10-6-5-7-11-24;1-4-37-30(36)34-17-15-24(16-18-34)32-29-33-28-21(2)9-8-12-26(28)35(29)19-25-27(14-13-22(3)31-25)38-20-23-10-6-5-7-11-23;1-19-7-6-10-24-26(19)31-27(30-22-13-15-28-16-14-22)32(24)17-23-25(12-11-20(2)29-23)33-18-21-8-4-3-5-9-21;1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-21-15(2)6-5-7-19(21)28(22)14-18-20(29)9-8-16(3)24-18;1-2-7-4(6)3-5;1-2-4-5-3-1;;;;;;;;/h5-14,25H,4,15-21H2,1-3H3,(H,33,34);5-14,24H,4,15-20H2,1-3H3,(H,32,33);3-12,22,28H,13-18H2,1-2H3,(H,30,31);5-9,17,29H,4,10-14H2,1-3H3,(H,25,26);2-3H2,1H3;1-4H2;;;;1H2;;;;/q;;;;;;;2*+1;;;;;-1/p-1
• InChIKey: ICYAJOHQWXPTQL-UHFFFAOYSA-M
• XLogP: 13.84
• TPSA: 385.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.12
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The IUPAC name of lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide (CID 160942483) is lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide.

What is the SMILES notation for lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The canonical SMILES for lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide is C1CCOC1.CCOC(=O)CCl.CCOC(=O)CN1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2OCc2ccccc2)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)N1CCC(Nc2nc3c(C)cccc3n2Cc2nc(C)ccc2OCc2ccccc2)CC1.Cc1ccc(OCc2ccccc2)c(Cn2c(NC3CCNCC3)nc3c(C)cccc32)n1.[AlH3].[H-].[K+].[Li+].[OH-].

What is the InChIKey of lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The InChIKey is ICYAJOHQWXPTQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H37N5O3.C30H35N5O3.C27H31N5O.C23H29N5O3.C4H7ClO2.C4H8O.Al.K.Li.H2O.4H/c1-4-38-29(37)20-35-17-15-25(16-18-35)33-31-34-30-22(2)9-8-12-27(30)36(31)19-26-28(14-13-23(3)32-26)39-21-24-10-6-5-7-11-24;1-4-37-30(36)34-17-15-24(16-18-34)32-29-33-28-21(2)9-8-12-26(28)35(29)19-25-27(14-13-22(3)31-25)38-20-23-10-6-5-7-11-23;1-19-7-6-10-24-26(19)31-27(30-22-13-15-28-16-14-22)32(24)17-23-25(12-11-20(2)29-23)33-18-21-8-4-3-5-9-21;1-4-31-23(30)27-12-10-17(11-13-27)25-22-26-21-15(2)6-5-7-19(21)28(22)14-18-20(29)9-8-16(3)24-18;1-2-7-4(6)3-5;1-2-4-5-3-1;;;;;;;;/h5-14,25H,4,15-21H2,1-3H3,(H,33,34);5-14,24H,4,15-20H2,1-3H3,(H,32,33);3-12,22,28H,13-18H2,1-2H3,(H,30,31);5-9,17,29H,4,10-14H2,1-3H3,(H,25,26);2-3H2,1H3;1-4H2;;;;1H2;;;;/q;;;;;;;2*+1;;;;;-1/p-1.

What are the key properties of lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide has a molecular weight of 2195.12 g/mol, XLogP of 13.84, 32 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;potassium;alumane;ethyl 2-chloroacetate;ethyl 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate;ethyl 2-[4-[[4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide is sourced from PubChem (CID 160942483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).