2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid

C164H112F10N16O20 — CID 158762450

About 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid

2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 158762450) has the molecular formula C164H112F10N16O20 and a molecular weight of 2816.77 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 158762450
• Molecular Formula: C164H112F10N16O20
• Molecular Weight: 2816.77 g/mol
• Exact Mass: 2814.81
• IUPAC Name: 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid
• SMILES: CC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4c(F)c(F)c(F)c(F)c4F)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(Oc3ccccc3)cc1)=N2.Cc1nc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)oc1C.O=C(O)c1cc(F)cc2[nH]c(-c3c(F)cc(-c4ccccc4)cc3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4ccccn4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3c(F)cccc3F)cc1)=N2
• InChI: InChI=1S/C22H17NO3.C21H11F5N2O3.C21H13F2NO2.C21H16N2O.C20H11F3N2O2.C20H15N3O3.C20H16N2O3.C19H13N3O3/c1-14-11-19(22(24)25)18-13-20(23-21(18)12-14)15-7-9-17(10-8-15)26-16-5-3-2-4-6-16;1-8-6-11(21(29)30)18-12(7-8)27-20(28-18)9-2-4-10(5-3-9)31-19-16(25)14(23)13(22)15(24)17(19)26;22-16-4-2-5-17(23)20(16)13-9-7-12(8-10-13)19-11-15-14(21(25)26)3-1-6-18(15)24-19;1-14(24)18-8-5-9-19-20(18)23-21(22-19)17-12-10-16(11-13-17)15-6-3-2-4-7-15;21-12-8-13(20(26)27)18-16(9-12)24-19(25-18)17-14(22)6-11(7-15(17)23)10-4-2-1-3-5-10;1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17;1-11-12(2)25-19(21-11)14-8-6-13(7-9-14)18-10-16-15(20(23)24)4-3-5-17(16)22-18;23-19(24)14-4-3-5-15-17(14)22-18(21-15)12-7-9-13(10-8-12)25-16-6-1-2-11-20-16/h2-12H,13H2,1H3,(H,24,25);2-7H,1H3,(H,27,28)(H,29,30);1-10H,11H2,(H,25,26);2-13H,1H3,(H,22,23);1-9H,(H,24,25)(H,26,27);2-11H,1H3,(H,22,23)(H,24,25);3-9H,10H2,1-2H3,(H,23,24);1-11H,(H,21,22)(H,23,24)
• InChIKey: IOVOOWBGTMBAER-UHFFFAOYSA-N
• XLogP: 38.88
• TPSA: 547.38 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.77
LogP ≤ 5	38.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid (CID 158762450) is 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid is CC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12.Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4c(F)c(F)c(F)c(F)c4F)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(Oc4ccccn4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(Oc3ccccc3)cc1)=N2.Cc1nc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)oc1C.O=C(O)c1cc(F)cc2[nH]c(-c3c(F)cc(-c4ccccc4)cc3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4ccccn4)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3c(F)cccc3F)cc1)=N2.

What is the InChIKey of 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?

The InChIKey is IOVOOWBGTMBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3.C21H11F5N2O3.C21H13F2NO2.C21H16N2O.C20H11F3N2O2.C20H15N3O3.C20H16N2O3.C19H13N3O3/c1-14-11-19(22(24)25)18-13-20(23-21(18)12-14)15-7-9-17(10-8-15)26-16-5-3-2-4-6-16;1-8-6-11(21(29)30)18-12(7-8)27-20(28-18)9-2-4-10(5-3-9)31-19-16(25)14(23)13(22)15(24)17(19)26;22-16-4-2-5-17(23)20(16)13-9-7-12(8-10-13)19-11-15-14(21(25)26)3-1-6-18(15)24-19;1-14(24)18-8-5-9-19-20(18)23-21(22-19)17-12-10-16(11-13-17)15-6-3-2-4-7-15;21-12-8-13(20(26)27)18-16(9-12)24-19(25-18)17-14(22)6-11(7-15(17)23)10-4-2-1-3-5-10;1-12-10-15(20(24)25)18-16(11-12)22-19(23-18)13-5-7-14(8-6-13)26-17-4-2-3-9-21-17;1-11-12(2)25-19(21-11)14-8-6-13(7-9-14)18-10-16-15(20(23)24)4-3-5-17(16)22-18;23-19(24)14-4-3-5-15-17(14)22-18(21-15)12-7-9-13(10-8-12)25-16-6-1-2-11-20-16/h2-12H,13H2,1H3,(H,24,25);2-7H,1H3,(H,27,28)(H,29,30);1-10H,11H2,(H,25,26);2-13H,1H3,(H,22,23);1-9H,(H,24,25)(H,26,27);2-11H,1H3,(H,22,23)(H,24,25);3-9H,10H2,1-2H3,(H,23,24);1-11H,(H,21,22)(H,23,24).

What are the key properties of 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid?

2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2816.77 g/mol, XLogP of 38.88, 28 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluoro-4-phenylphenyl)-6-fluoro-1H-benzimidazole-4-carboxylic acid;2-[4-(2,6-difluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenoxyphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid;1-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]ethanone;2-(4-pyridin-2-yloxyphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158762450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).