2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

C161H106F10N14O20S2 — CID 159953439

About 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 159953439) has the molecular formula C161H106F10N14O20S2 and a molecular weight of 2810.81 g/mol. Its IUPAC name is 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 159953439
• Molecular Formula: C161H106F10N14O20S2
• Molecular Weight: 2810.81 g/mol
• Exact Mass: 2808.70
• IUPAC Name: 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• SMILES: COc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)cc(OC)c1-c1ccccc1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccsc4)cc3)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccsc4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3F)cc1F)=N2.O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12
• InChI: InChI=1S/C22H18N2O4.C21H13F3N2O3.C21H13F2NO2.C20H10F4N2O2.C20H13FN2O2.C20H13NO3.C19H14N2O2S.C18H12N2O2S/c1-27-17-11-14(12-18(28-2)19(17)13-7-4-3-5-8-13)21-23-16-10-6-9-15(22(25)26)20(16)24-21;22-21(23,24)29-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-25-17-6-2-5-16(20(27)28)18(17)26-19;22-17-6-2-1-4-13(17)12-8-9-15(18(23)10-12)20-11-16-14(21(25)26)5-3-7-19(16)24-20;21-14-12(9-5-2-1-3-6-9)15(22)17(24)13(16(14)23)19-25-11-8-4-7-10(20(27)28)18(11)26-19;21-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-22-17-6-2-5-16(20(24)25)18(17)23-19;22-20(23)16-7-4-8-17-18(16)24-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13;1-11-8-15(19(22)23)17-16(9-11)20-18(21-17)13-4-2-12(3-5-13)14-6-7-24-10-14;21-18(22)14-2-1-3-15-16(14)20-17(19-15)12-6-4-11(5-7-12)13-8-9-23-10-13/h3-12H,1-2H3,(H,23,24)(H,25,26);1-11H,(H,25,26)(H,27,28);1-10H,11H2,(H,25,26);1-8H,(H,25,26)(H,27,28);1-11H,(H,22,23)(H,24,25);1-12H,(H,22,23);2-10H,1H3,(H,20,21)(H,22,23);1-10H,(H,19,20)(H,21,22)
• InChIKey: OCKIFLJDLFJLEQ-UHFFFAOYSA-N
• XLogP: 39.48
• TPSA: 536.56 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 27
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2810.81
LogP ≤ 5	39.48
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (CID 159953439) is 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is COc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)cc(OC)c1-c1ccccc1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccsc4)cc3)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OC(F)(F)F)c4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccsc4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3F)cc1F)=N2.O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)oc12.

What is the InChIKey of 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

The InChIKey is OCKIFLJDLFJLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4.C21H13F3N2O3.C21H13F2NO2.C20H10F4N2O2.C20H13FN2O2.C20H13NO3.C19H14N2O2S.C18H12N2O2S/c1-27-17-11-14(12-18(28-2)19(17)13-7-4-3-5-8-13)21-23-16-10-6-9-15(22(25)26)20(16)24-21;22-21(23,24)29-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-25-17-6-2-5-16(20(27)28)18(17)26-19;22-17-6-2-1-4-13(17)12-8-9-15(18(23)10-12)20-11-16-14(21(25)26)5-3-7-19(16)24-20;21-14-12(9-5-2-1-3-6-9)15(22)17(24)13(16(14)23)19-25-11-8-4-7-10(20(27)28)18(11)26-19;21-15-4-1-3-14(11-15)12-7-9-13(10-8-12)19-22-17-6-2-5-16(20(24)25)18(17)23-19;22-20(23)16-7-4-8-17-18(16)24-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13;1-11-8-15(19(22)23)17-16(9-11)20-18(21-17)13-4-2-12(3-5-13)14-6-7-24-10-14;21-18(22)14-2-1-3-15-16(14)20-17(19-15)12-6-4-11(5-7-12)13-8-9-23-10-13/h3-12H,1-2H3,(H,23,24)(H,25,26);1-11H,(H,25,26)(H,27,28);1-10H,11H2,(H,25,26);1-8H,(H,25,26)(H,27,28);1-11H,(H,22,23)(H,24,25);1-12H,(H,22,23);2-10H,1H3,(H,20,21)(H,22,23);1-10H,(H,19,20)(H,21,22).

What are the key properties of 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid?

2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2810.81 g/mol, XLogP of 39.48, 27 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethoxy-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2-fluoro-4-(2-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(3-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-phenylphenyl)-1,3-benzoxazole-7-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 159953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).