2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

C177H108F22N18O21S — CID 158373961

About 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid

2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 158373961) has the molecular formula C177H108F22N18O21S and a molecular weight of 3272.94 g/mol. Its IUPAC name is 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
• PubChem CID: 158373961
• Molecular Formula: C177H108F22N18O21S
• Molecular Weight: 3272.94 g/mol
• Exact Mass: 3270.73
• IUPAC Name: 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cccnc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cccnc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccc(C=O)cc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccc5C(=O)O)cc4)cc3)[nH]c2c1.O=C(O)c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12
• InChI: InChI=1S/C28H20N2O5.C28H20N2O4.2C21H11F5N2O2.2C20H11F4N3O2.C20H14N2O2.C19H10F4N2O2S/c1-16-14-22(28(33)34)25-23(15-16)29-26(30-25)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35-24-5-3-2-4-21(24)27(31)32;1-17-14-24(28(32)33)26-25(15-17)29-27(30-26)21-6-4-19(5-7-21)20-8-12-23(13-9-20)34-22-10-2-18(16-31)3-11-22;1-8-6-11(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-2-4-10(22)5-3-9;1-8-6-10(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-4-2-3-5-11(9)22;2*1-8-5-10(20(28)29)18-11(6-8)26-19(27-18)13-16(23)14(21)12(15(22)17(13)24)9-3-2-4-25-7-9;23-20(24)17-7-4-12-22-13-18(21-19(17)22)16-10-8-15(9-11-16)14-5-2-1-3-6-14;1-7-4-9(19(26)27)17-10(5-7)24-18(25-17)12-15(22)13(20)11(14(21)16(12)23)8-2-3-28-6-8/h2-15H,1H3,(H,29,30)(H,31,32)(H,33,34);2-16H,1H3,(H,29,30)(H,32,33);2*2-7H,1H3,(H,27,28)(H,29,30);2*2-7H,1H3,(H,26,27)(H,28,29);1-13H,(H,23,24);2-6H,1H3,(H,24,25)(H,26,27)
• InChIKey: GUYVEXJSNLFSLN-UHFFFAOYSA-N
• XLogP: 43.70
• TPSA: 615.07 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3272.94
LogP ≤ 5	43.70
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?

The IUPAC name of 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 158373961) is 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?

The canonical SMILES for 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cccnc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cccnc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccc(C=O)cc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccc5C(=O)O)cc4)cc3)[nH]c2c1.O=C(O)c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12.

What is the InChIKey of 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?

The InChIKey is GUYVEXJSNLFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O5.C28H20N2O4.2C21H11F5N2O2.2C20H11F4N3O2.C20H14N2O2.C19H10F4N2O2S/c1-16-14-22(28(33)34)25-23(15-16)29-26(30-25)19-8-6-17(7-9-19)18-10-12-20(13-11-18)35-24-5-3-2-4-21(24)27(31)32;1-17-14-24(28(32)33)26-25(15-17)29-27(30-26)21-6-4-19(5-7-21)20-8-12-23(13-9-20)34-22-10-2-18(16-31)3-11-22;1-8-6-11(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-2-4-10(22)5-3-9;1-8-6-10(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-4-2-3-5-11(9)22;2*1-8-5-10(20(28)29)18-11(6-8)26-19(27-18)13-16(23)14(21)12(15(22)17(13)24)9-3-2-4-25-7-9;23-20(24)17-7-4-12-22-13-18(21-19(17)22)16-10-8-15(9-11-16)14-5-2-1-3-6-14;1-7-4-9(19(26)27)17-10(5-7)24-18(25-17)12-15(22)13(20)11(14(21)16(12)23)8-2-3-28-6-8/h2-15H,1H3,(H,29,30)(H,31,32)(H,33,34);2-16H,1H3,(H,29,30)(H,32,33);2*2-7H,1H3,(H,27,28)(H,29,30);2*2-7H,1H3,(H,26,27)(H,28,29);1-13H,(H,23,24);2-6H,1H3,(H,24,25)(H,26,27).

What are the key properties of 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid?

2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 3272.94 g/mol, XLogP of 43.70, 30 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(2-carboxyphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(4-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;bis(6-methyl-2-(2,3,5,6-tetrafluoro-4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid);6-methyl-2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 158373961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).