sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide

C101H83Cl3F9N20NaO11 — CID 158688884

IUPACsodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
SMILESCOC(=O)c1cc(Cl)nc(-n2c(C)nc3ccccc32)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)c1.Cc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.[Na+].[OH-]
InChIInChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C8H8N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-26-17-5-3-4-6-18(17)29(13)20-12-14(21(30)31-2)11-19(28-20)27-16-9-7-15(8-10-16)22(23,24)25;1-12-26-16-4-2-3-5-17(16)29(12)19-11-13(20(30)31-25)10-18(28-19)27-15-8-6-14(7-9-15)21(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-13(20(29)30)10-18(27-19)26-15-8-6-14(7-9-15)21(22,23)24;1-9-17-11-5-3-4-6-12(11)19(9)14-8-10(15(20)21-2)7-13(16)18-14;1-6-9-7-4-2-3-5-8(7)10-6;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;2-5H,1H3,(H,9,10);2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1
InChIKeyIGBYHIJRFJFPIF-UHFFFAOYSA-M
MW2053.23 g/mol
LogP20.61
Rot. Bonds15

About sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide

sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide (PubChem CID 158688884) has the molecular formula C101H83Cl3F9N20NaO11 and a molecular weight of 2053.23 g/mol. Its IUPAC name is sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
PubChem CID158688884
Molecular FormulaC101H83Cl3F9N20NaO11
Molecular Weight2053.23 g/mol
Exact Mass2050.54
IUPAC Namesodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
SMILESCOC(=O)c1cc(Cl)nc(-n2c(C)nc3ccccc32)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)c1.Cc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.[Na+].[OH-]
InChIInChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C8H8N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-26-17-5-3-4-6-18(17)29(13)20-12-14(21(30)31-2)11-19(28-20)27-16-9-7-15(8-10-16)22(23,24)25;1-12-26-16-4-2-3-5-17(16)29(12)19-11-13(20(30)31-25)10-18(28-19)27-15-8-6-14(7-9-15)21(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-13(20(29)30)10-18(27-19)26-15-8-6-14(7-9-15)21(22,23)24;1-9-17-11-5-3-4-6-12(11)19(9)14-8-10(15(20)21-2)7-13(16)18-14;1-6-9-7-4-2-3-5-8(7)10-6;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;2-5H,1H3,(H,9,10);2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1
InChIKeyIGBYHIJRFJFPIF-UHFFFAOYSA-M
XLogP20.61
TPSA425.04 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds15
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002053.23
LogP ≤ 520.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide with MolForge

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Related Compounds

Sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
CID 159238862
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridin-2-amine;N-(4-chlorophenyl)-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-6-(4-methylanilino)pyridine-4-carbonitrile;4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzonitrile;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate
CID 160565073

Frequently Asked Questions

What is the IUPAC name of sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The IUPAC name of sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide (CID 158688884) is sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide.
What is the SMILES notation for sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The canonical SMILES for sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide is COC(=O)c1cc(Cl)nc(-n2c(C)nc3ccccc32)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-n2c(C)nc3ccccc32)c1.Cc1ccc(N)cc1.Cc1nc2ccccc2[nH]1.Cc1nc2ccccc2n1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.[Na+].[OH-].
What is the InChIKey of sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The InChIKey is IGBYHIJRFJFPIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C8H8N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-26-17-5-3-4-6-18(17)29(13)20-12-14(21(30)31-2)11-19(28-20)27-16-9-7-15(8-10-16)22(23,24)25;1-12-26-16-4-2-3-5-17(16)29(12)19-11-13(20(30)31-25)10-18(28-19)27-15-8-6-14(7-9-15)21(22,23)24;1-12-25-16-4-2-3-5-17(16)28(12)19-11-13(20(29)30)10-18(27-19)26-15-8-6-14(7-9-15)21(22,23)24;1-9-17-11-5-3-4-6-12(11)19(9)14-8-10(15(20)21-2)7-13(16)18-14;1-6-9-7-4-2-3-5-8(7)10-6;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;2-5H,1H3,(H,9,10);2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide has a molecular weight of 2053.23 g/mol, XLogP of 20.61, 15 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide is sourced from PubChem (CID 158688884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).