lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride

C111H163AlCl5LiN22O11S — CID 169423956

About lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride

lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride (PubChem CID 169423956) has the molecular formula C111H163AlCl5LiN22O11S and a molecular weight of 2224.92 g/mol. Its IUPAC name is lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride.

Molecular Properties

• Compound Name: lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride
• PubChem CID: 169423956
• Molecular Formula: C111H163AlCl5LiN22O11S
• Molecular Weight: 2224.92 g/mol
• Exact Mass: 2221.10
• IUPAC Name: lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride
• SMILES: C1CCOC1.C1COCCN1.CCOC(=O)CCN1CCC(Nc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)c2nc(NC3CCN(CCCCl)CC3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NC3CCN(CCCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NC3CCN(CCCO)CC3)n(Cc3nc(C)ccc3O)c2c1.ClCCl.O=S(Cl)Cl.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C28H40N6O2.C26H35N5O3.C24H32ClN5O.C24H33N5O2.C4H9NO.C4H8O.CH2Cl2.Al.Cl2OS.Li.4H/c1-20-17-21(2)27-25(18-20)34(19-24-26(35)6-5-22(3)29-24)28(31-27)30-23-7-11-32(12-8-23)9-4-10-33-13-15-36-16-14-33;1-5-34-24(33)10-13-30-11-8-20(9-12-30)28-26-29-25-18(3)14-17(2)15-22(25)31(26)16-21-23(32)7-6-19(4)27-21;1-16-13-17(2)23-21(14-16)30(15-20-22(31)6-5-18(3)26-20)24(28-23)27-19-7-11-29(12-8-19)10-4-9-25;1-16-13-17(2)23-21(14-16)29(15-20-22(31)6-5-18(3)25-20)24(27-23)26-19-7-10-28(11-8-19)9-4-12-30;1-3-6-4-2-5-1;1-2-4-5-3-1;2-1-3;;1-4(2)3;;;;;/h5-6,17-18,23,35H,4,7-16,19H2,1-3H3,(H,30,31);6-7,14-15,20,32H,5,8-13,16H2,1-4H3,(H,28,29);5-6,13-14,19,31H,4,7-12,15H2,1-3H3,(H,27,28);5-6,13-14,19,30-31H,4,7-12,15H2,1-3H3,(H,26,27);5H,1-4H2;1-4H2;1H2;;;;;;;/q;;;;;;;;;+1;;;;-1
• InChIKey: MYLDDEFBEJIYDC-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 371.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2224.92
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride?

The IUPAC name of lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride (CID 169423956) is lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride.

What is the SMILES notation for lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride?

The canonical SMILES for lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride is C1CCOC1.C1COCCN1.CCOC(=O)CCN1CCC(Nc2nc3c(C)cc(C)cc3n2Cc2nc(C)ccc2O)CC1.Cc1cc(C)c2nc(NC3CCN(CCCCl)CC3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NC3CCN(CCCN4CCOCC4)CC3)n(Cc3nc(C)ccc3O)c2c1.Cc1cc(C)c2nc(NC3CCN(CCCO)CC3)n(Cc3nc(C)ccc3O)c2c1.ClCCl.O=S(Cl)Cl.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride?

The InChIKey is MYLDDEFBEJIYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2.C26H35N5O3.C24H32ClN5O.C24H33N5O2.C4H9NO.C4H8O.CH2Cl2.Al.Cl2OS.Li.4H/c1-20-17-21(2)27-25(18-20)34(19-24-26(35)6-5-22(3)29-24)28(31-27)30-23-7-11-32(12-8-23)9-4-10-33-13-15-36-16-14-33;1-5-34-24(33)10-13-30-11-8-20(9-12-30)28-26-29-25-18(3)14-17(2)15-22(25)31(26)16-21-23(32)7-6-19(4)27-21;1-16-13-17(2)23-21(14-16)30(15-20-22(31)6-5-18(3)26-20)24(28-23)27-19-7-11-29(12-8-19)10-4-9-25;1-16-13-17(2)23-21(14-16)29(15-20-22(31)6-5-18(3)25-20)24(27-23)26-19-7-10-28(11-8-19)9-4-12-30;1-3-6-4-2-5-1;1-2-4-5-3-1;2-1-3;;1-4(2)3;;;;;/h5-6,17-18,23,35H,4,7-16,19H2,1-3H3,(H,30,31);6-7,14-15,20,32H,5,8-13,16H2,1-4H3,(H,28,29);5-6,13-14,19,31H,4,7-12,15H2,1-3H3,(H,27,28);5-6,13-14,19,30-31H,4,7-12,15H2,1-3H3,(H,26,27);5H,1-4H2;1-4H2;1H2;;;;;;;/q;;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride?

lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride has a molecular weight of 2224.92 g/mol, XLogP of 14.43, 30 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;2-[[2-[[1-(3-chloropropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;dichloromethane;2-[[4,6-dimethyl-2-[[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 3-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]propanoate;hydride;2-[[2-[[1-(3-hydroxypropyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;morpholine;oxolane;thionyl dichloride is sourced from PubChem (CID 169423956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).