6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid

C149H97F16N13O12S — CID 157175015

About 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid

6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid (PubChem CID 157175015) has the molecular formula C149H97F16N13O12S and a molecular weight of 2597.53 g/mol. Its IUPAC name is 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid
• PubChem CID: 157175015
• Molecular Formula: C149H97F16N13O12S
• Molecular Weight: 2597.53 g/mol
• Exact Mass: 2595.68
• IUPAC Name: 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid
• SMILES: Cc1cc(C#N)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4OCc4ccccc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(O)c3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(OCc4ccccc4)c3)c(F)c1F)=N2.Nc1nnc(-c2cccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc23)s1.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccc(OCc4ccccc4)c3)c(F)c1F)=N2
• InChI: InChI=1S/C29H19F4NO3.C28H17F4NO3.C28H22N2O3.C22H13F4NO3.C21H11F4N3.C21H15N5S/c1-15-10-20(29(35)36)19-13-22(34-21(19)11-15)24-27(32)25(30)23(26(31)28(24)33)17-8-5-9-18(12-17)37-14-16-6-3-2-4-7-16;29-24-22(16-8-4-9-17(12-16)36-14-15-6-2-1-3-7-15)25(30)27(32)23(26(24)31)21-13-19-18(28(34)35)10-5-11-20(19)33-21;1-18-15-23(28(31)32)26-24(16-18)29-27(30-26)21-13-11-20(12-14-21)22-9-5-6-10-25(22)33-17-19-7-3-2-4-8-19;1-9-5-13(22(29)30)12-8-15(27-14(12)6-9)17-20(25)18(23)16(19(24)21(17)26)10-3-2-4-11(28)7-10;1-10-7-12(9-26)20-13(8-10)27-21(28-20)15-18(24)16(22)14(17(23)19(15)25)11-5-3-2-4-6-11;22-21-26-25-20(27-21)16-7-4-8-17-18(16)24-19(23-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h2-12H,13-14H2,1H3,(H,35,36);1-12H,13-14H2,(H,34,35);2-16H,17H2,1H3,(H,29,30)(H,31,32);2-7,28H,8H2,1H3,(H,29,30);2-8H,1H3,(H,27,28);1-12H,(H2,22,26)(H,23,24)
• InChIKey: ANXDTJDYEUPBAZ-UHFFFAOYSA-N
• XLogP: 36.45
• TPSA: 395.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.53
LogP ≤ 5	36.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

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-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The IUPAC name of 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid (CID 157175015) is 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid.

What is the SMILES notation for 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The canonical SMILES for 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid is Cc1cc(C#N)c2nc(-c3c(F)c(F)c(-c4ccccc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccccc4OCc4ccccc4)cc3)[nH]c2c1.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(O)c3)c(F)c1F)=N2.Cc1cc2c(c(C(=O)O)c1)CC(c1c(F)c(F)c(-c3cccc(OCc4ccccc4)c3)c(F)c1F)=N2.Nc1nnc(-c2cccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc23)s1.O=C(O)c1cccc2c1CC(c1c(F)c(F)c(-c3cccc(OCc4ccccc4)c3)c(F)c1F)=N2.

What is the InChIKey of 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

The InChIKey is ANXDTJDYEUPBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F4NO3.C28H17F4NO3.C28H22N2O3.C22H13F4NO3.C21H11F4N3.C21H15N5S/c1-15-10-20(29(35)36)19-13-22(34-21(19)11-15)24-27(32)25(30)23(26(31)28(24)33)17-8-5-9-18(12-17)37-14-16-6-3-2-4-7-16;29-24-22(16-8-4-9-17(12-16)36-14-15-6-2-1-3-7-15)25(30)27(32)23(26(24)31)21-13-19-18(28(34)35)10-5-11-20(19)33-21;1-18-15-23(28(31)32)26-24(16-18)29-27(30-26)21-13-11-20(12-14-21)22-9-5-6-10-25(22)33-17-19-7-3-2-4-8-19;1-9-5-13(22(29)30)12-8-15(27-14(12)6-9)17-20(25)18(23)16(19(24)21(17)26)10-3-2-4-11(28)7-10;1-10-7-12(9-26)20-13(8-10)27-21(28-20)15-18(24)16(22)14(17(23)19(15)25)11-5-3-2-4-6-11;22-21-26-25-20(27-21)16-7-4-8-17-18(16)24-19(23-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h2-12H,13-14H2,1H3,(H,35,36);1-12H,13-14H2,(H,34,35);2-16H,17H2,1H3,(H,29,30)(H,31,32);2-7,28H,8H2,1H3,(H,29,30);2-8H,1H3,(H,27,28);1-12H,(H2,22,26)(H,23,24).

What are the key properties of 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid?

6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid has a molecular weight of 2597.53 g/mol, XLogP of 36.45, 26 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[4-(2-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-hydroxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid;6-methyl-2-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1H-benzimidazole-4-carbonitrile;5-[2-(4-phenylphenyl)-1H-benzimidazol-4-yl]-1,3,4-thiadiazol-2-amine;2-[2,3,5,6-tetrafluoro-4-(3-phenylmethoxyphenyl)phenyl]-3H-indole-4-carboxylic acid is sourced from PubChem (CID 157175015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).