6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C146H100F8N14O17S2 — CID 158752352

About 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid

6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 158752352) has the molecular formula C146H100F8N14O17S2 and a molecular weight of 2538.60 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 158752352
• Molecular Formula: C146H100F8N14O17S2
• Molecular Weight: 2538.60 g/mol
• Exact Mass: 2536.67
• IUPAC Name: 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)s3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccccc3)cc1)=N2.Cn1cc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)cn1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccs4)cc3)nc12
• InChI: InChI=1S/C27H20N2O3.C22H17NO2.C21H12F4N2O3.C20H10F4N2O3.C19H15N3O2.C19H14N2O2S.C18H12N2O2S/c30-27(31)23-7-4-8-24-25(23)29-26(28-24)21-11-9-19(10-12-21)20-13-15-22(16-14-20)32-17-18-5-2-1-3-6-18;1-14-11-19(22(24)25)18-13-20(23-21(18)12-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-9-7-11(21(28)29)18-12(8-9)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)30-10-5-3-2-4-6-10;21-13-12(19-25-11-8-4-7-10(20(27)28)17(11)26-19)14(22)16(24)18(15(13)23)29-9-5-2-1-3-6-9;1-22-11-14(10-20-22)12-5-7-13(8-6-12)18-9-16-15(19(23)24)3-2-4-17(16)21-18;1-11-9-13(19(22)23)17-14(10-11)20-18(21-17)16-8-7-15(24-16)12-5-3-2-4-6-12;21-18(22)13-3-1-4-14-16(13)20-17(19-14)12-8-6-11(7-9-12)15-5-2-10-23-15/h1-16H,17H2,(H,28,29)(H,30,31);2-12H,13H2,1H3,(H,24,25);2-8H,1H3,(H,26,27)(H,28,29);1-8H,(H,25,26)(H,27,28);2-8,10-11H,9H2,1H3,(H,23,24);2-10H,1H3,(H,20,21)(H,22,23);1-10H,(H,19,20)(H,21,22)
• InChIKey: INQHJSCILZPKQB-UHFFFAOYSA-N
• XLogP: 35.16
• TPSA: 474.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.60
LogP ≤ 5	35.16
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 158752352) is 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4)s3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1ccc(-c3ccccc3)cc1)=N2.Cn1cc(-c2ccc(C3=Nc4cccc(C(=O)O)c4C3)cc2)cn1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(Oc4ccccc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)nc12.O=C(O)c1cccc2[nH]c(-c3ccc(-c4cccs4)cc3)nc12.

What is the InChIKey of 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

The InChIKey is INQHJSCILZPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3.C22H17NO2.C21H12F4N2O3.C20H10F4N2O3.C19H15N3O2.C19H14N2O2S.C18H12N2O2S/c30-27(31)23-7-4-8-24-25(23)29-26(28-24)21-11-9-19(10-12-21)20-13-15-22(16-14-20)32-17-18-5-2-1-3-6-18;1-14-11-19(22(24)25)18-13-20(23-21(18)12-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15;1-9-7-11(21(28)29)18-12(8-9)26-20(27-18)13-14(22)16(24)19(17(25)15(13)23)30-10-5-3-2-4-6-10;21-13-12(19-25-11-8-4-7-10(20(27)28)17(11)26-19)14(22)16(24)18(15(13)23)29-9-5-2-1-3-6-9;1-22-11-14(10-20-22)12-5-7-13(8-6-12)18-9-16-15(19(23)24)3-2-4-17(16)21-18;1-11-9-13(19(22)23)17-14(10-11)20-18(21-17)16-8-7-15(24-16)12-5-3-2-4-6-12;21-18(22)13-3-1-4-14-16(13)20-17(19-14)12-8-6-11(7-9-12)15-5-2-10-23-15/h1-16H,17H2,(H,28,29)(H,30,31);2-12H,13H2,1H3,(H,24,25);2-8H,1H3,(H,26,27)(H,28,29);1-8H,(H,25,26)(H,27,28);2-8,10-11H,9H2,1H3,(H,23,24);2-10H,1H3,(H,20,21)(H,22,23);1-10H,(H,19,20)(H,21,22).

What are the key properties of 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?

6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2538.60 g/mol, XLogP of 35.16, 26 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-(4-phenylphenyl)-3H-indole-4-carboxylic acid;6-methyl-2-(5-phenylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid;2-[4-(1-methylpyrazol-4-yl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-phenoxyphenyl)-1H-benzimidazole-4-carboxylic acid;2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158752352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).