lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide

C56H63BrLiN9O7 — CID 159672934

About lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide

lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide (PubChem CID 159672934) has the molecular formula C56H63BrLiN9O7 and a molecular weight of 1061.02 g/mol. Its IUPAC name is lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide
• PubChem CID: 159672934
• Molecular Formula: C56H63BrLiN9O7
• Molecular Weight: 1061.02 g/mol
• Exact Mass: 1059.42
• IUPAC Name: lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)O)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)OC)cc1.CCc1nc2nc(C)cc(C)c2[nH]1.COC(=O)c1ccc(CBr)cc1.[Li+].[OH-]
• InChI: InChI=1S/C19H21N3O2.C18H19N3O2.C10H13N3.C9H9BrO2.Li.H2O/c1-5-16-21-17-12(2)10-13(3)20-18(17)22(16)11-14-6-8-15(9-7-14)19(23)24-4;1-4-15-20-16-11(2)9-12(3)19-17(16)21(15)10-13-5-7-14(8-6-13)18(22)23;1-4-8-12-9-6(2)5-7(3)11-10(9)13-8;1-12-9(11)8-4-2-7(6-10)3-5-8;;/h6-10H,5,11H2,1-4H3;5-9H,4,10H2,1-3H3,(H,22,23);5H,4H2,1-3H3,(H,11,12,13);2-5H,6H2,1H3;;1H2/q;;;;+1;/p-1
• InChIKey: MUFMXWAMAQOIDO-UHFFFAOYSA-M
• XLogP: 8.13
• TPSA: 222.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1061.02
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide?

The IUPAC name of lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide (CID 159672934) is lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide.

What is the SMILES notation for lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide?

The canonical SMILES for lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide is CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)O)cc1.CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)OC)cc1.CCc1nc2nc(C)cc(C)c2[nH]1.COC(=O)c1ccc(CBr)cc1.[Li+].[OH-].

What is the InChIKey of lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide?

The InChIKey is MUFMXWAMAQOIDO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21N3O2.C18H19N3O2.C10H13N3.C9H9BrO2.Li.H2O/c1-5-16-21-17-12(2)10-13(3)20-18(17)22(16)11-14-6-8-15(9-7-14)19(23)24-4;1-4-15-20-16-11(2)9-12(3)19-17(16)21(15)10-13-5-7-14(8-6-13)18(22)23;1-4-8-12-9-6(2)5-7(3)11-10(9)13-8;1-12-9(11)8-4-2-7(6-10)3-5-8;;/h6-10H,5,11H2,1-4H3;5-9H,4,10H2,1-3H3,(H,22,23);5H,4H2,1-3H3,(H,11,12,13);2-5H,6H2,1H3;;1H2/q;;;;+1;/p-1.

What are the key properties of lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide?

lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide has a molecular weight of 1061.02 g/mol, XLogP of 8.13, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine;4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoic acid;methyl 4-(bromomethyl)benzoate;methyl 4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzoate;hydroxide is sourced from PubChem (CID 159672934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).