2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

C121H53F33N12O12 — CID 158843981

About 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid

2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 158843981) has the molecular formula C121H53F33N12O12 and a molecular weight of 2493.76 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 158843981
• Molecular Formula: C121H53F33N12O12
• Molecular Weight: 2493.76 g/mol
• Exact Mass: 2492.34
• IUPAC Name: 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(F)c4F)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)nc12
• InChI: InChI=1S/C21H11F5N2O2.3C20H8F6N2O2.2C20H9F5N2O2/c1-8-6-11(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-2-4-10(22)5-3-9;21-9-5-1-3-7(13(9)22)11-14(23)16(25)12(17(26)15(11)24)19-27-10-6-2-4-8(20(29)30)18(10)28-19;21-8-4-7(5-9(22)6-8)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-10(20(29)30)18(11)28-19;21-9-5-4-7(6-10(9)22)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-8(20(29)30)18(11)28-19;21-10-6-2-1-4-8(10)12-14(22)16(24)13(17(25)15(12)23)19-26-11-7-3-5-9(20(28)29)18(11)27-19;21-9-6-4-8(5-7-9)12-14(22)16(24)13(17(25)15(12)23)19-26-11-3-1-2-10(20(28)29)18(11)27-19/h2-7H,1H3,(H,27,28)(H,29,30);3*1-6H,(H,27,28)(H,29,30);2*1-7H,(H,26,27)(H,28,29)
• InChIKey: IYPBVHJPJSSUED-UHFFFAOYSA-N
• XLogP: 32.47
• TPSA: 395.88 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2493.76
LogP ≤ 5	32.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?

The IUPAC name of 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 158843981) is 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

What is the SMILES notation for 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?

The canonical SMILES for 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(F)c4F)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccccc4F)c(F)c3F)nc12.

What is the InChIKey of 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?

The InChIKey is IYPBVHJPJSSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O2.3C20H8F6N2O2.2C20H9F5N2O2/c1-8-6-11(21(29)30)19-12(7-8)27-20(28-19)14-17(25)15(23)13(16(24)18(14)26)9-2-4-10(22)5-3-9;21-9-5-1-3-7(13(9)22)11-14(23)16(25)12(17(26)15(11)24)19-27-10-6-2-4-8(20(29)30)18(10)28-19;21-8-4-7(5-9(22)6-8)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-10(20(29)30)18(11)28-19;21-9-5-4-7(6-10(9)22)12-14(23)16(25)13(17(26)15(12)24)19-27-11-3-1-2-8(20(29)30)18(11)28-19;21-10-6-2-1-4-8(10)12-14(22)16(24)13(17(25)15(12)23)19-26-11-7-3-5-9(20(28)29)18(11)27-19;21-9-6-4-8(5-7-9)12-14(22)16(24)13(17(25)15(12)23)19-26-11-3-1-2-10(20(28)29)18(11)27-19/h2-7H,1H3,(H,27,28)(H,29,30);3*1-6H,(H,27,28)(H,29,30);2*1-7H,(H,26,27)(H,28,29).

What are the key properties of 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?

2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 2493.76 g/mol, XLogP of 32.47, 18 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2,3-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(2-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-(4-fluorophenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 158843981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).