2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C159H112F5N17O19 — CID 162266520

About 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid

2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 162266520) has the molecular formula C159H112F5N17O19 and a molecular weight of 2659.73 g/mol. Its IUPAC name is 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 162266520
• Molecular Formula: C159H112F5N17O19
• Molecular Weight: 2659.73 g/mol
• Exact Mass: 2657.82
• IUPAC Name: 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2c1CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cccc2c1CC(c1ccc(N3CCOCC3)cc1)=N2
• InChI: InChI=1S/C22H16O2.C20H12F2N2O3.C20H12F2N2O2.C20H15N3O2.C20H14N2O3.C19H12FN3O2.C19H13N3O2.C19H18N2O3/c23-22(24)20-8-4-7-18-13-19(14-21(18)20)17-11-9-16(10-12-17)15-5-2-1-3-6-15;21-14-4-2-5-15(22)18(14)27-12-9-7-11(8-10-12)19-23-16-6-1-3-13(20(25)26)17(16)24-19;21-15-5-1-3-13(17(15)22)11-7-9-12(10-8-11)19-23-16-6-2-4-14(20(25)26)18(16)24-19;1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15;23-19-6-1-2-11-22(19)14-9-7-13(8-10-14)18-12-16-15(20(24)25)4-3-5-17(16)21-18;20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13;23-19(24)15-2-1-3-16-17(15)22-18(21-16)14-6-4-12(5-7-14)13-8-10-20-11-9-13;22-19(23)15-2-1-3-17-16(15)12-18(20-17)13-4-6-14(7-5-13)21-8-10-24-11-9-21/h1-13H,14H2,(H,23,24);1-10H,(H,23,24)(H,25,26);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-11H,12H2,(H,24,25);1-10H,(H,22,23)(H,24,25);1-11H,(H,21,22)(H,23,24);1-7H,8-12H2,(H,22,23)
• InChIKey: ZZZBYOXMRBBIDE-UHFFFAOYSA-N
• XLogP: 33.55
• TPSA: 548.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2659.73
LogP ≤ 5	33.55
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 162266520) is 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccnc4)cc3)[nH]c2c1.O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(F)c4F)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12.O=C(O)c1cccc2c1CC(c1ccc(-c3ccccc3)cc1)=C2.O=C(O)c1cccc2c1CC(c1ccc(-n3ccccc3=O)cc1)=N2.O=C(O)c1cccc2c1CC(c1ccc(N3CCOCC3)cc1)=N2.

What is the InChIKey of 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The InChIKey is ZZZBYOXMRBBIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2.C20H12F2N2O3.C20H12F2N2O2.C20H15N3O2.C20H14N2O3.C19H12FN3O2.C19H13N3O2.C19H18N2O3/c23-22(24)20-8-4-7-18-13-19(14-21(18)20)17-11-9-16(10-12-17)15-5-2-1-3-6-15;21-14-4-2-5-15(22)18(14)27-12-9-7-11(8-10-12)19-23-16-6-1-3-13(20(25)26)17(16)24-19;21-15-5-1-3-13(17(15)22)11-7-9-12(10-8-11)19-23-16-6-2-4-14(20(25)26)18(16)24-19;1-12-9-16(20(24)25)18-17(10-12)22-19(23-18)14-6-4-13(5-7-14)15-3-2-8-21-11-15;23-19-6-1-2-11-22(19)14-9-7-13(8-10-14)18-12-16-15(20(24)25)4-3-5-17(16)21-18;20-14-8-15(19(24)25)17-16(9-14)22-18(23-17)12-5-3-11(4-6-12)13-2-1-7-21-10-13;23-19(24)15-2-1-3-16-17(15)22-18(21-16)14-6-4-12(5-7-14)13-8-10-20-11-9-13;22-19(23)15-2-1-3-17-16(15)12-18(20-17)13-4-6-14(7-5-13)21-8-10-24-11-9-21/h1-13H,14H2,(H,23,24);1-10H,(H,23,24)(H,25,26);1-10H,(H,23,24)(H,25,26);2-11H,1H3,(H,22,23)(H,24,25);1-11H,12H2,(H,24,25);1-10H,(H,22,23)(H,24,25);1-11H,(H,21,22)(H,23,24);1-7H,8-12H2,(H,22,23).

What are the key properties of 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2659.73 g/mol, XLogP of 33.55, 25 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,6-difluorophenoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(2,3-difluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-fluoro-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-morpholin-4-ylphenyl)-3H-indole-4-carboxylic acid;2-[4-(2-oxo-1-pyridinyl)phenyl]-3H-indole-4-carboxylic acid;2-(4-phenylphenyl)-3H-indene-4-carboxylic acid;2-(4-pyridin-4-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 162266520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).