2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid

C185H130F13N17O19S — CID 157240836

About 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid

2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid (PubChem CID 157240836) has the molecular formula C185H130F13N17O19S and a molecular weight of 3174.22 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid
• PubChem CID: 157240836
• Molecular Formula: C185H130F13N17O19S
• Molecular Weight: 3174.22 g/mol
• Exact Mass: 3171.92
• IUPAC Name: 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2c(c1)nc(-c1c(F)c(F)c(-c3ccccc3)c(F)c1F)n2C.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5ccccn5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5cccnc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)nn2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-n3c(C)ccc3C)cc1)=N2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccc(F)c3)c(F)c1F)=N2.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccs3)c(F)c1F)=N2
• InChI: InChI=1S/2C27H21N3O3.C27H20N2O3.C22H14F4N2O2.C22H20N2O2.C21H10F5NO2.C20H15N3O2.C19H9F4NO2S/c1-17-13-23(27(31)32)25-24(14-17)29-26(30-25)21-6-4-19(5-7-21)20-8-10-22(11-9-20)33-16-18-3-2-12-28-15-18;1-17-14-23(27(31)32)25-24(15-17)29-26(30-25)20-7-5-18(6-8-20)19-9-11-22(12-10-19)33-16-21-4-2-3-13-28-21;30-27(31)23-10-5-11-24-25(23)29-26(28-24)20-14-12-19(13-15-20)21-8-4-9-22(16-21)32-17-18-6-2-1-3-7-18;1-10-8-12(22(29)30)20-13(9-10)27-21(28(20)2)15-18(25)16(23)14(17(24)19(15)26)11-6-4-3-5-7-11;1-13-10-19(22(25)26)18-12-20(23-21(18)11-13)16-6-8-17(9-7-16)24-14(2)4-5-15(24)3;22-10-4-1-3-9(7-10)15-17(23)19(25)16(20(26)18(15)24)14-8-12-11(21(28)29)5-2-6-13(12)27-14;1-13-11-17(20(24)25)19-21-18(22-23(19)12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;20-15-13(11-7-9-8(19(25)26)3-1-4-10(9)24-11)16(21)18(23)14(17(15)22)12-5-2-6-27-12/h2*2-15H,16H2,1H3,(H,29,30)(H,31,32);1-16H,17H2,(H,28,29)(H,30,31);3-9H,1-2H3,(H,29,30);4-11H,12H2,1-3H3,(H,25,26);1-7H,8H2,(H,28,29);2-12H,1H3,(H,24,25);1-6H,7H2,(H,25,26)
• InChIKey: AVERWUOOVUYZHL-UHFFFAOYSA-N
• XLogP: 43.02
• TPSA: 527.93 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3174.22
LogP ≤ 5	43.02
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid?

The IUPAC name of 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid (CID 157240836) is 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid.

What is the SMILES notation for 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid?

The canonical SMILES for 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid is Cc1cc(C(=O)O)c2c(c1)nc(-c1c(F)c(F)c(-c3ccccc3)c(F)c1F)n2C.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5ccccn5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5cccnc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)cc3)nn2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-n3c(C)ccc3C)cc1)=N2.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccc(F)c3)c(F)c1F)=N2.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccs3)c(F)c1F)=N2.

What is the InChIKey of 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid?

The InChIKey is AVERWUOOVUYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H21N3O3.C27H20N2O3.C22H14F4N2O2.C22H20N2O2.C21H10F5NO2.C20H15N3O2.C19H9F4NO2S/c1-17-13-23(27(31)32)25-24(14-17)29-26(30-25)21-6-4-19(5-7-21)20-8-10-22(11-9-20)33-16-18-3-2-12-28-15-18;1-17-14-23(27(31)32)25-24(15-17)29-26(30-25)20-7-5-18(6-8-20)19-9-11-22(12-10-19)33-16-21-4-2-3-13-28-21;30-27(31)23-10-5-11-24-25(23)29-26(28-24)20-14-12-19(13-15-20)21-8-4-9-22(16-21)32-17-18-6-2-1-3-7-18;1-10-8-12(22(29)30)20-13(9-10)27-21(28(20)2)15-18(25)16(23)14(17(24)19(15)26)11-6-4-3-5-7-11;1-13-10-19(22(25)26)18-12-20(23-21(18)11-13)16-6-8-17(9-7-16)24-14(2)4-5-15(24)3;22-10-4-1-3-9(7-10)15-17(23)19(25)16(20(26)18(15)24)14-8-12-11(21(28)29)5-2-6-13(12)27-14;1-13-11-17(20(24)25)19-21-18(22-23(19)12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14;20-15-13(11-7-9-8(19(25)26)3-1-4-10(9)24-11)16(21)18(23)14(17(15)22)12-5-2-6-27-12/h2*2-15H,16H2,1H3,(H,29,30)(H,31,32);1-16H,17H2,(H,28,29)(H,30,31);3-9H,1-2H3,(H,29,30);4-11H,12H2,1-3H3,(H,25,26);1-7H,8H2,(H,28,29);2-12H,1H3,(H,24,25);1-6H,7H2,(H,25,26).

What are the key properties of 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid?

2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid has a molecular weight of 3174.22 g/mol, XLogP of 43.02, 33 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-3H-indole-4-carboxylic acid;3,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)benzimidazole-4-carboxylic acid;6-methyl-2-(4-phenylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid;6-methyl-2-[4-[4-(pyridin-2-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-[4-(pyridin-3-ylmethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(3-fluorophenyl)phenyl]-3H-indole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-3H-indole-4-carboxylic acid is sourced from PubChem (CID 157240836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).