lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide

C90H94CuI2LiN14O8 — CID 160728814

About lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide

lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide (PubChem CID 160728814) has the molecular formula C90H94CuI2LiN14O8 and a molecular weight of 1824.13 g/mol. Its IUPAC name is lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide
• PubChem CID: 160728814
• Molecular Formula: C90H94CuI2LiN14O8
• Molecular Weight: 1824.13 g/mol
• Exact Mass: 1822.49
• IUPAC Name: lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide
• SMILES: CC(N)c1cnccn1.CCc1ncc[nH]1.CCc1nccn1-c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1.CCc1nccn1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1.CCc1nccn1-c1cc(C(=O)OC)cc(-c2ccc(C)cc2)c1.COC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1.[Cu]I.[Li+].[OH-]
• InChI: InChI=1S/C25H25N5O.C20H20N2O2.C19H18N2O2.C15H13IO2.C6H9N3.C5H8N2.Cu.HI.Li.H2O/c1-4-24-28-11-12-30(24)22-14-20(19-7-5-17(2)6-8-19)13-21(15-22)25(31)29-18(3)23-16-26-9-10-27-23;1-4-19-21-9-10-22(19)18-12-16(11-17(13-18)20(23)24-3)15-7-5-14(2)6-8-15;1-3-18-20-8-9-21(18)17-11-15(10-16(12-17)19(22)23)14-6-4-13(2)5-7-14;1-10-3-5-11(6-4-10)12-7-13(15(17)18-2)9-14(16)8-12;1-5(7)6-4-8-2-3-9-6;1-2-5-6-3-4-7-5;;;;/h5-16,18H,4H2,1-3H3,(H,29,31);5-13H,4H2,1-3H3;4-12H,3H2,1-2H3,(H,22,23);3-9H,1-2H3;2-5H,7H2,1H3;3-4H,2H2,1H3,(H,6,7);;1H;;1H2/q;;;;;;+1;;+1;/p-2
• InChIKey: RUBGXIYIGCAEPC-UHFFFAOYSA-L
• XLogP: 16.23
• TPSA: 308.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1824.13
LogP ≤ 5	16.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide?

The IUPAC name of lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide (CID 160728814) is lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide.

What is the SMILES notation for lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide?

The canonical SMILES for lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide is CC(N)c1cnccn1.CCc1ncc[nH]1.CCc1nccn1-c1cc(C(=O)NC(C)c2cnccn2)cc(-c2ccc(C)cc2)c1.CCc1nccn1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1.CCc1nccn1-c1cc(C(=O)OC)cc(-c2ccc(C)cc2)c1.COC(=O)c1cc(I)cc(-c2ccc(C)cc2)c1.[Cu]I.[Li+].[OH-].

What is the InChIKey of lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide?

The InChIKey is RUBGXIYIGCAEPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H25N5O.C20H20N2O2.C19H18N2O2.C15H13IO2.C6H9N3.C5H8N2.Cu.HI.Li.H2O/c1-4-24-28-11-12-30(24)22-14-20(19-7-5-17(2)6-8-19)13-21(15-22)25(31)29-18(3)23-16-26-9-10-27-23;1-4-19-21-9-10-22(19)18-12-16(11-17(13-18)20(23)24-3)15-7-5-14(2)6-8-15;1-3-18-20-8-9-21(18)17-11-15(10-16(12-17)19(22)23)14-6-4-13(2)5-7-14;1-10-3-5-11(6-4-10)12-7-13(15(17)18-2)9-14(16)8-12;1-5(7)6-4-8-2-3-9-6;1-2-5-6-3-4-7-5;;;;/h5-16,18H,4H2,1-3H3,(H,29,31);5-13H,4H2,1-3H3;4-12H,3H2,1-2H3,(H,22,23);3-9H,1-2H3;2-5H,7H2,1H3;3-4H,2H2,1H3,(H,6,7);;1H;;1H2/q;;;;;;+1;;+1;/p-2.

What are the key properties of lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide?

lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide has a molecular weight of 1824.13 g/mol, XLogP of 16.23, 18 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-ethyl-1H-imidazole;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoic acid;3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide;iodocopper;methyl 3-(2-ethylimidazol-1-yl)-5-(4-methylphenyl)benzoate;methyl 3-iodo-5-(4-methylphenyl)benzoate;1-pyrazin-2-ylethanamine;hydroxide is sourced from PubChem (CID 160728814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).