lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide

C126H138Br2F4ILiN19O19Sn- — CID 158127335

About lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide

lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide (PubChem CID 158127335) has the molecular formula C126H138Br2F4ILiN19O19Sn- and a molecular weight of 2711.97 g/mol. Its IUPAC name is lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide.

Molecular Properties

• Compound Name: lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide
• PubChem CID: 158127335
• Molecular Formula: C126H138Br2F4ILiN19O19Sn-
• Molecular Weight: 2711.97 g/mol
• Exact Mass: 2709.70
• IUPAC Name: lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide
• SMILES: C.CC(N)=O.CCCC[Sn](CCCC)(CCCC)c1cccc(OCc2ccc(C#N)cc2F)n1.COCCNc1cc(C(=O)OC)ccc1N.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)nc2)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)nc2)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(Br)nc2)nc2ccc(C(=O)OC)cc21.O=C(O)Cc1ccc(Br)nc1.[2H]CF.[I-].[Li+].[OH-]
• InChI: InChI=1S/C31H26FN5O4.C30H24FN5O4.C18H18BrN3O3.C13H8FN2O.C11H16N2O3.C7H6BrNO2.3C4H9.C2H5NO.CH3F.CH4.HI.Li.H2O.Sn/c1-39-13-12-37-28-16-22(31(38)40-2)9-11-27(28)35-29(37)15-21-7-10-25(34-18-21)26-4-3-5-30(36-26)41-19-23-8-6-20(17-33)14-24(23)32;1-39-12-11-36-27-15-21(30(37)38)8-10-26(27)34-28(36)14-20-6-9-24(33-17-20)25-3-2-4-29(35-25)40-18-22-7-5-19(16-32)13-23(22)31;1-24-8-7-22-15-10-13(18(23)25-2)4-5-14(15)21-17(22)9-12-3-6-16(19)20-11-12;14-12-7-10(8-15)4-5-11(12)9-17-13-3-1-2-6-16-13;1-15-6-5-13-10-7-8(11(14)16-2)3-4-9(10)12;8-6-2-1-5(4-9-6)3-7(10)11;3*1-3-4-2;1-2(3)4;1-2;;;;;/h3-11,14,16,18H,12-13,15,19H2,1-2H3;2-10,13,15,17H,11-12,14,18H2,1H3,(H,37,38);3-6,10-11H,7-9H2,1-2H3;1-5,7H,9H2;3-4,7,13H,5-6,12H2,1-2H3;1-2,4H,3H2,(H,10,11);3*1,3-4H2,2H3;1H3,(H2,3,4);1H3;1H4;1H;;1H2;/q;;;;;;;;;;;;;+1;;/p-2/i;;;;;;;;;;1D
• InChIKey: VIVRCKTXJCXYTD-QMQYFFRASA-L
• XLogP: 17.20
• TPSA: 544.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 46
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2711.97
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide?

The IUPAC name of lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide (CID 158127335) is lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide.

What is the SMILES notation for lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide?

The canonical SMILES for lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide is C.CC(N)=O.CCCC[Sn](CCCC)(CCCC)c1cccc(OCc2ccc(C#N)cc2F)n1.COCCNc1cc(C(=O)OC)ccc1N.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)nc2)nc2ccc(C(=O)O)cc21.COCCn1c(Cc2ccc(-c3cccc(OCc4ccc(C#N)cc4F)n3)nc2)nc2ccc(C(=O)OC)cc21.COCCn1c(Cc2ccc(Br)nc2)nc2ccc(C(=O)OC)cc21.O=C(O)Cc1ccc(Br)nc1.[2H]CF.[I-].[Li+].[OH-].

What is the InChIKey of lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide?

The InChIKey is VIVRCKTXJCXYTD-QMQYFFRASA-L. The full InChI is InChI=1S/C31H26FN5O4.C30H24FN5O4.C18H18BrN3O3.C13H8FN2O.C11H16N2O3.C7H6BrNO2.3C4H9.C2H5NO.CH3F.CH4.HI.Li.H2O.Sn/c1-39-13-12-37-28-16-22(31(38)40-2)9-11-27(28)35-29(37)15-21-7-10-25(34-18-21)26-4-3-5-30(36-26)41-19-23-8-6-20(17-33)14-24(23)32;1-39-12-11-36-27-15-21(30(37)38)8-10-26(27)34-28(36)14-20-6-9-24(33-17-20)25-3-2-4-29(35-25)40-18-22-7-5-19(16-32)13-23(22)31;1-24-8-7-22-15-10-13(18(23)25-2)4-5-14(15)21-17(22)9-12-3-6-16(19)20-11-12;14-12-7-10(8-15)4-5-11(12)9-17-13-3-1-2-6-16-13;1-15-6-5-13-10-7-8(11(14)16-2)3-4-9(10)12;8-6-2-1-5(4-9-6)3-7(10)11;3*1-3-4-2;1-2(3)4;1-2;;;;;/h3-11,14,16,18H,12-13,15,19H2,1-2H3;2-10,13,15,17H,11-12,14,18H2,1H3,(H,37,38);3-6,10-11H,7-9H2,1-2H3;1-5,7H,9H2;3-4,7,13H,5-6,12H2,1-2H3;1-2,4H,3H2,(H,10,11);3*1,3-4H2,2H3;1H3,(H2,3,4);1H3;1H4;1H;;1H2;/q;;;;;;;;;;;;;+1;;/p-2/i;;;;;;;;;;1D;;;;;.

What are the key properties of lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide?

lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide has a molecular weight of 2711.97 g/mol, XLogP of 17.20, 46 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;acetamide;2-(6-bromo-3-pyridinyl)acetic acid;2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid;deuterio(fluoro)methane;3-fluoro-4-[(6-tributylstannyl-2-pyridinyl)oxymethyl]benzonitrile;methane;methyl 4-amino-3-(2-methoxyethylamino)benzoate;methyl 2-[(6-bromo-3-pyridinyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[6-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-3-pyridinyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;hydroxide;iodide is sourced from PubChem (CID 158127335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).