sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride

C107H117ClI2N17NaO3 — CID 158287162

About sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride

sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride (PubChem CID 158287162) has the molecular formula C107H117ClI2N17NaO3 and a molecular weight of 2001.48 g/mol. Its IUPAC name is sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride.

Molecular Properties

• Compound Name: sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride
• PubChem CID: 158287162
• Molecular Formula: C107H117ClI2N17NaO3
• Molecular Weight: 2001.48 g/mol
• Exact Mass: 1999.72
• IUPAC Name: sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride
• SMILES: CI.Cc1ccc(-c2cn3cc(C)ccc3n2)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CCOO)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CN(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2C[N+](C)(C)C)cc1.Cl.[C-]#N.[C-]#[N+]Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.[I-].[Na+]
• InChI: InChI=1S/C19H21N3O.C19H24N3.C18H21N3.C17H15N3.C17H18N2O2.C15H14N2.CH3I.CN.ClH.HI.Na/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;1-14-6-9-16(10-7-14)19-17(13-22(3,4)5)21-12-15(2)8-11-18(21)20-19;1-13-5-8-15(9-6-13)18-16(12-20(3)4)21-11-14(2)7-10-17(21)19-18;1-12-4-7-14(8-5-12)17-15(10-18-3)20-11-13(2)6-9-16(20)19-17;1-12-3-6-14(7-4-12)17-15(9-10-21-20)19-11-13(2)5-8-16(19)18-17;1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14;2*1-2;;;/h5-10,12H,11H2,1-4H3;6-12H,13H2,1-5H3;5-11H,12H2,1-4H3;4-9,11H,10H2,1-2H3;3-8,11,20H,9-10H2,1-2H3;3-10H,1-2H3;1H3;;2*1H;/q;+1;;;;;;-1;;;+1/p-1
• InChIKey: GZTJWQSTLNDYRQ-UHFFFAOYSA-M
• XLogP: 17.64
• TPSA: 184.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.48
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride?

The IUPAC name of sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride (CID 158287162) is sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride.

What is the SMILES notation for sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride?

The canonical SMILES for sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride is CI.Cc1ccc(-c2cn3cc(C)ccc3n2)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CCOO)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CN(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2C[N+](C)(C)C)cc1.Cl.[C-]#N.[C-]#[N+]Cc1c(-c2ccc(C)cc2)nc2ccc(C)cn12.[I-].[Na+].

What is the InChIKey of sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride?

The InChIKey is GZTJWQSTLNDYRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21N3O.C19H24N3.C18H21N3.C17H15N3.C17H18N2O2.C15H14N2.CH3I.CN.ClH.HI.Na/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;1-14-6-9-16(10-7-14)19-17(13-22(3,4)5)21-12-15(2)8-11-18(21)20-19;1-13-5-8-15(9-6-13)18-16(12-20(3)4)21-11-14(2)7-10-17(21)19-18;1-12-4-7-14(8-5-12)17-15(10-18-3)20-11-13(2)6-9-16(20)19-17;1-12-3-6-14(7-4-12)17-15(9-10-21-20)19-11-13(2)5-8-16(19)18-17;1-11-3-6-13(7-4-11)14-10-17-9-12(2)5-8-15(17)16-14;2*1-2;;;/h5-10,12H,11H2,1-4H3;6-12H,13H2,1-5H3;5-11H,12H2,1-4H3;4-9,11H,10H2,1-2H3;3-8,11,20H,9-10H2,1-2H3;3-10H,1-2H3;1H3;;2*1H;/q;+1;;;;;;-1;;;+1/p-1.

What are the key properties of sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride?

sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride has a molecular weight of 2001.48 g/mol, XLogP of 17.64, 16 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;N,N-dimethyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine;3-(2-hydroperoxyethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;iodomethane;3-(isocyanomethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;trimethyl-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]azanium;cyanide;iodide;hydrochloride is sourced from PubChem (CID 158287162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).