potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide

C127H157BrClKN20O15 — CID 159432742

About potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide

potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide (PubChem CID 159432742) has the molecular formula C127H157BrClKN20O15 and a molecular weight of 2358.23 g/mol. Its IUPAC name is potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide.

Molecular Properties

• Compound Name: potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide
• PubChem CID: 159432742
• Molecular Formula: C127H157BrClKN20O15
• Molecular Weight: 2358.23 g/mol
• Exact Mass: 2355.06
• IUPAC Name: potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide
• SMILES: C.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.O=C(Br)c1ccccc1.[K+].[OH-]
• InChI: InChI=1S/C31H37N5O3.C30H35N5O3.C27H31N5O.C23H29N5O3.C7H5BrO.C4H7ClO2.C4H8O.CH4.K.H2O/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;8-7(9)6-4-2-1-3-5-6;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);1-5H;2-3H2,1H3;1-4H2;1H4;;1H2/q;;;;;;;;+1;/p-1
• InChIKey: LRENOSLRQDDJHI-UHFFFAOYSA-M
• XLogP: 20.77
• TPSA: 402.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.23
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The IUPAC name of potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide (CID 159432742) is potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide.

What is the SMILES notation for potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The canonical SMILES for potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide is C.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.O=C(Br)c1ccccc1.[K+].[OH-].

What is the InChIKey of potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

The InChIKey is LRENOSLRQDDJHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H37N5O3.C30H35N5O3.C27H31N5O.C23H29N5O3.C7H5BrO.C4H7ClO2.C4H8O.CH4.K.H2O/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;8-7(9)6-4-2-1-3-5-6;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);1-5H;2-3H2,1H3;1-4H2;1H4;;1H2/q;;;;;;;;+1;/p-1.

What are the key properties of potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide?

potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide has a molecular weight of 2358.23 g/mol, XLogP of 20.77, 33 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;benzoyl bromide;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;methane;4-methyl-1-[(6-methyl-3-phenylmethoxy-2-pyridinyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;oxolane;hydroxide is sourced from PubChem (CID 159432742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).