2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

C175H107F23N18O20S2 — CID 161393804

About 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid

2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 161393804) has the molecular formula C175H107F23N18O20S2 and a molecular weight of 3282.97 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• PubChem CID: 161393804
• Molecular Formula: C175H107F23N18O20S2
• Molecular Weight: 3282.97 g/mol
• Exact Mass: 3280.70
• IUPAC Name: 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid
• SMILES: Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccc5C=O)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cnccn4)cc3)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(OC(F)(F)F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)nc12
• InChI: InChI=1S/C28H20N2O4.C28H22N2O3.C21H9F7N2O3.2C21H10F6N2O2.C19H14N4O2.C19H14N2O2S.C18H8F4N2O2S/c1-17-14-23(28(32)33)26-24(15-17)29-27(30-26)20-8-6-18(7-9-20)19-10-12-22(13-11-19)34-25-5-3-2-4-21(25)16-31;1-18-15-24(28(31)32)26-25(16-18)29-27(30-26)22-9-7-20(8-10-22)21-11-13-23(14-12-21)33-17-19-5-3-2-4-6-19;22-14-12(8-3-1-4-9(7-8)33-21(26,27)28)15(23)17(25)13(16(14)24)19-29-11-6-2-5-10(20(31)32)18(11)30-19;1-7-2-11(21(30)31)19-12(3-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-4-9(22)6-10(23)5-8;1-7-4-9(21(30)31)19-12(5-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-2-3-10(22)11(23)6-8;1-11-8-14(19(24)25)17-15(9-11)22-18(23-17)13-4-2-12(3-5-13)16-10-20-6-7-21-16;1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16;19-12-10(7-4-5-27-6-7)13(20)15(22)11(14(12)21)17-23-9-3-1-2-8(18(25)26)16(9)24-17/h2-16H,1H3,(H,29,30)(H,32,33);2-16H,17H2,1H3,(H,29,30)(H,31,32);1-7H,(H,29,30)(H,31,32);2*2-6H,1H3,(H,28,29)(H,30,31);2-10H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,20,21)(H,22,23);1-6H,(H,23,24)(H,25,26)
• InChIKey: VTIHANVNJUHKPQ-UHFFFAOYSA-N
• XLogP: 44.39
• TPSA: 598.38 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3282.97
LogP ≤ 5	44.39
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid (CID 161393804) is 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid.

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

The canonical SMILES for 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4cc(F)cc(F)c4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)c(F)c4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4ccc(Oc5ccccc5C=O)cc4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cnccn4)cc3)[nH]c2c1.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4cccc(OC(F)(F)F)c4)c(F)c3F)nc12.O=C(O)c1cccc2[nH]c(-c3c(F)c(F)c(-c4ccsc4)c(F)c3F)nc12.

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

The InChIKey is VTIHANVNJUHKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4.C28H22N2O3.C21H9F7N2O3.2C21H10F6N2O2.C19H14N4O2.C19H14N2O2S.C18H8F4N2O2S/c1-17-14-23(28(32)33)26-24(15-17)29-27(30-26)20-8-6-18(7-9-20)19-10-12-22(13-11-19)34-25-5-3-2-4-21(25)16-31;1-18-15-24(28(31)32)26-25(16-18)29-27(30-26)22-9-7-20(8-10-22)21-11-13-23(14-12-21)33-17-19-5-3-2-4-6-19;22-14-12(8-3-1-4-9(7-8)33-21(26,27)28)15(23)17(25)13(16(14)24)19-29-11-6-2-5-10(20(31)32)18(11)30-19;1-7-2-11(21(30)31)19-12(3-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-4-9(22)6-10(23)5-8;1-7-4-9(21(30)31)19-12(5-7)28-20(29-19)14-17(26)15(24)13(16(25)18(14)27)8-2-3-10(22)11(23)6-8;1-11-8-14(19(24)25)17-15(9-11)22-18(23-17)13-4-2-12(3-5-13)16-10-20-6-7-21-16;1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16;19-12-10(7-4-5-27-6-7)13(20)15(22)11(14(12)21)17-23-9-3-1-2-8(18(25)26)16(9)24-17/h2-16H,1H3,(H,29,30)(H,32,33);2-16H,17H2,1H3,(H,29,30)(H,31,32);1-7H,(H,29,30)(H,31,32);2*2-6H,1H3,(H,28,29)(H,30,31);2-10H,1H3,(H,22,23)(H,24,25);2-10H,1H3,(H,20,21)(H,22,23);1-6H,(H,23,24)(H,25,26).

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

2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 3282.97 g/mol, XLogP of 44.39, 31 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3,4-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-(3,5-difluorophenyl)-2,3,5,6-tetrafluorophenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;2-[4-[4-(2-formylphenoxy)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid;6-methyl-2-[4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-pyrazin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-(2,3,5,6-tetrafluoro-4-thiophen-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid;2-[2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 161393804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).