lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane

C144H189AlBrCl2LiMnN28O20 — CID 160536613

About lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane

lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane (PubChem CID 160536613) has the molecular formula C144H189AlBrCl2LiMnN28O20 and a molecular weight of 2871.94 g/mol. Its IUPAC name is lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane
• PubChem CID: 160536613
• Molecular Formula: C144H189AlBrCl2LiMnN28O20
• Molecular Weight: 2871.94 g/mol
• Exact Mass: 2868.25
• IUPAC Name: lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane
• SMILES: C1CCOC1.CCOC(=O)CBr.CCOC(=O)CN1CCC(Nc2nc3ccc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3ccc(CNc4cccc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3ccc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.Cc1cccc(N)c1.Cc1cccc(NCc2ccc3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.ClCCl.O=[Mn]=O.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C31H38N6O3.C29H36N6O2.C24H31N5O4.C24H29N5O4.C20H25N5O2.C7H9N.C4H7BrO2.C4H8O.CH2Cl2.Al.Li.Mn.2O.4H/c1-4-40-30(39)20-36-14-12-24(13-15-36)34-31-35-26-10-9-23(18-32-25-7-5-6-21(2)16-25)17-28(26)37(31)19-27-29(38)11-8-22(3)33-27;1-20-4-3-5-24(16-20)30-18-22-7-8-25-27(17-22)35(19-26-28(37)9-6-21(2)31-26)29(33-25)32-23-10-12-34(13-11-23)14-15-36;2*1-3-33-23(32)14-28-10-8-18(9-11-28)26-24-27-19-6-5-17(15-30)12-21(19)29(24)13-20-22(31)7-4-16(2)25-20;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-2-4-7(8)5-6;1-2-7-4(6)3-5;1-2-4-5-3-1;2-1-3;;;;;;;;;/h5-11,16-17,24,32,38H,4,12-15,18-20H2,1-3H3,(H,34,35);3-9,16-17,23,30,36-37H,10-15,18-19H2,1-2H3,(H,32,33);4-7,12,18,30-31H,3,8-11,13-15H2,1-2H3,(H,26,27);4-7,12,15,18,31H,3,8-11,13-14H2,1-2H3,(H,26,27);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);2-5H,8H2,1H3;2-3H2,1H3;1-4H2;1H2;;;;;;;;;/q;;;;;;;;;;+1;;;;;;;-1
• InChIKey: VVZUQOABBBFBKN-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 616.25 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 48
• Rotatable Bonds: 42
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.94
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane?

The IUPAC name of lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane (CID 160536613) is lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane.

What is the SMILES notation for lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane?

The canonical SMILES for lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane is C1CCOC1.CCOC(=O)CBr.CCOC(=O)CN1CCC(Nc2nc3ccc(C=O)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3ccc(CNc4cccc(C)c4)cc3n2Cc2nc(C)ccc2O)CC1.CCOC(=O)CN1CCC(Nc2nc3ccc(CO)cc3n2Cc2nc(C)ccc2O)CC1.Cc1ccc(O)c(Cn2c(NC3CCNCC3)nc3ccc(CO)cc32)n1.Cc1cccc(N)c1.Cc1cccc(NCc2ccc3nc(NC4CCN(CCO)CC4)n(Cc4nc(C)ccc4O)c3c2)c1.ClCCl.O=[Mn]=O.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane?

The InChIKey is VVZUQOABBBFBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N6O3.C29H36N6O2.C24H31N5O4.C24H29N5O4.C20H25N5O2.C7H9N.C4H7BrO2.C4H8O.CH2Cl2.Al.Li.Mn.2O.4H/c1-4-40-30(39)20-36-14-12-24(13-15-36)34-31-35-26-10-9-23(18-32-25-7-5-6-21(2)16-25)17-28(26)37(31)19-27-29(38)11-8-22(3)33-27;1-20-4-3-5-24(16-20)30-18-22-7-8-25-27(17-22)35(19-26-28(37)9-6-21(2)31-26)29(33-25)32-23-10-12-34(13-11-23)14-15-36;2*1-3-33-23(32)14-28-10-8-18(9-11-28)26-24-27-19-6-5-17(15-30)12-21(19)29(24)13-20-22(31)7-4-16(2)25-20;1-13-2-5-19(27)17(22-13)11-25-18-10-14(12-26)3-4-16(18)24-20(25)23-15-6-8-21-9-7-15;1-6-3-2-4-7(8)5-6;1-2-7-4(6)3-5;1-2-4-5-3-1;2-1-3;;;;;;;;;/h5-11,16-17,24,32,38H,4,12-15,18-20H2,1-3H3,(H,34,35);3-9,16-17,23,30,36-37H,10-15,18-19H2,1-2H3,(H,32,33);4-7,12,18,30-31H,3,8-11,13-15H2,1-2H3,(H,26,27);4-7,12,15,18,31H,3,8-11,13-14H2,1-2H3,(H,26,27);2-5,10,15,21,26-27H,6-9,11-12H2,1H3,(H,23,24);2-5H,8H2,1H3;2-3H2,1H3;1-4H2;1H2;;;;;;;;;/q;;;;;;;;;;+1;;;;;;;-1.

What are the key properties of lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane?

lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane has a molecular weight of 2871.94 g/mol, XLogP of 16.89, 42 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;dichloromethane;dioxomanganese;ethyl 2-bromoacetate;ethyl 2-[4-[[6-formyl-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[6-(hydroxymethyl)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;ethyl 2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-6-[(3-methylanilino)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]acetate;hydride;2-[[2-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-6-[(3-methylanilino)methyl]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(piperidin-4-ylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-methylaniline;oxolane is sourced from PubChem (CID 160536613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).