lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride

C143H208AlCl3LiN35O16 — CID 160877572

About lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride

lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride (PubChem CID 160877572) has the molecular formula C143H208AlCl3LiN35O16 and a molecular weight of 2813.75 g/mol. Its IUPAC name is lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride.

Molecular Properties

• Compound Name: lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride
• PubChem CID: 160877572
• Molecular Formula: C143H208AlCl3LiN35O16
• Molecular Weight: 2813.75 g/mol
• Exact Mass: 2810.56
• IUPAC Name: lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride
• SMILES: C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCN(C)CC1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.CN1CCN(CCCN)CC1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(CO)cc32)n1.Cl.[AlH3].[H-].[Li+]
• InChI: InChI=1S/2C25H34N6O3.2C23H32N6O2.C18H27N5O2.C10H9ClN2O2.C8H19N3.C7H8ClNO.C4H8O.Al.ClH.Li.4H/c1-4-34-24(33)19-7-8-22-20(16-19)28-25(26-10-5-11-30-14-12-29(3)13-15-30)31(22)17-21-23(32)9-6-18(2)27-21;1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30;1-17-4-7-22(31)20(25-17)15-29-21-6-5-18(16-30)14-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-17-4-7-22(31)20(25-17)15-29-21-14-18(16-30)5-6-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-3-25-17(24)14-5-6-15-16(13-14)21-18(20-15)19-7-4-8-23-11-9-22(2)10-12-23;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-10-5-7-11(8-6-10)4-2-3-9;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;;/h2*6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28);2*4-7,14,30-31H,3,8-13,15-16H2,1-2H3,(H,24,26);5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,21);3-5H,2H2,1H3,(H,12,13);2-9H2,1H3;2-3,10H,4H2,1H3;1-4H2;;1H;;;;;/q;;;;;;;;;;;+1;;;;-1
• InChIKey: WEOSRSBLDRLWDJ-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 574.18 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 49
• Rotatable Bonds: 47
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2813.75
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride?

The IUPAC name of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride (CID 160877572) is lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride.

What is the SMILES notation for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride?

The canonical SMILES for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride is C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCN(C)CC1)n2Cc1nc(C)ccc1O.CCOC(=O)c1ccc2nc(Cl)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)[nH]c2c1.CCOC(=O)c1ccc2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1.CN1CCN(CCCN)CC1.Cc1ccc(O)c(CCl)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3cc(CO)ccc32)n1.Cc1ccc(O)c(Cn2c(NCCCN3CCN(C)CC3)nc3ccc(CO)cc32)n1.Cl.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride?

The InChIKey is WEOSRSBLDRLWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H34N6O3.2C23H32N6O2.C18H27N5O2.C10H9ClN2O2.C8H19N3.C7H8ClNO.C4H8O.Al.ClH.Li.4H/c1-4-34-24(33)19-7-8-22-20(16-19)28-25(26-10-5-11-30-14-12-29(3)13-15-30)31(22)17-21-23(32)9-6-18(2)27-21;1-4-34-24(33)19-7-8-20-22(16-19)31(17-21-23(32)9-6-18(2)27-21)25(28-20)26-10-5-11-30-14-12-29(3)13-15-30;1-17-4-7-22(31)20(25-17)15-29-21-6-5-18(16-30)14-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-17-4-7-22(31)20(25-17)15-29-21-14-18(16-30)5-6-19(21)26-23(29)24-8-3-9-28-12-10-27(2)11-13-28;1-3-25-17(24)14-5-6-15-16(13-14)21-18(20-15)19-7-4-8-23-11-9-22(2)10-12-23;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-10-5-7-11(8-6-10)4-2-3-9;1-5-2-3-7(10)6(4-8)9-5;1-2-4-5-3-1;;;;;;;/h2*6-9,16,32H,4-5,10-15,17H2,1-3H3,(H,26,28);2*4-7,14,30-31H,3,8-13,15-16H2,1-2H3,(H,24,26);5-6,13H,3-4,7-12H2,1-2H3,(H2,19,20,21);3-5H,2H2,1H3,(H,12,13);2-9H2,1H3;2-3,10H,4H2,1H3;1-4H2;;1H;;;;;/q;;;;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride?

lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride has a molecular weight of 2813.75 g/mol, XLogP of 12.26, 47 rotatable bonds, 15 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate;ethyl 2-[3-(4-methylpiperazin-1-yl)propylamino]-3H-benzimidazole-5-carboxylate;hydride;2-[[5-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;3-(4-methylpiperazin-1-yl)propan-1-amine;oxolane;hydrochloride is sourced from PubChem (CID 160877572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).