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

C176H87F41N16O18 — CID 160701718

IUPAC2-[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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(OCc5ccccc5)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(-c4ccc(OCc5ccccc5)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
InChIInChI=1S/C28H18F4N2O3.C27H16F4N2O3.C21H11F5N2O2.3C20H8F6N2O2.2C20H9F5N2O2/c1-14-11-18(28(35)36)26-19(12-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-7-9-17(10-8-16)37-13-15-5-3-2-4-6-15;28-21-19(15-9-11-16(12-10-15)36-13-14-5-2-1-3-6-14)22(29)24(31)20(23(21)30)26-32-18-8-4-7-17(27(34)35)25(18)33-26;1-8-6-11(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/h2-12H,13H2,1H3,(H,33,34)(H,35,36);1-12H,13H2,(H,32,33)(H,34,35);2-7H,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)
InChIKeyRQRXLXYPXXZMQU-UHFFFAOYSA-N
MW3492.64 g/mol
LogP46.24
Rot. Bonds30

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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 160701718) has the molecular formula C176H87F41N16O18 and a molecular weight of 3492.64 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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID160701718
Molecular FormulaC176H87F41N16O18
Molecular Weight3492.64 g/mol
Exact Mass3490.57
IUPAC Name2-[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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(F)cc4)c(F)c3F)[nH]c2c1.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(OCc5ccccc5)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(-c4ccc(OCc5ccccc5)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
InChIInChI=1S/C28H18F4N2O3.C27H16F4N2O3.C21H11F5N2O2.3C20H8F6N2O2.2C20H9F5N2O2/c1-14-11-18(28(35)36)26-19(12-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-7-9-17(10-8-16)37-13-15-5-3-2-4-6-15;28-21-19(15-9-11-16(12-10-15)36-13-14-5-2-1-3-6-14)22(29)24(31)20(23(21)30)26-32-18-8-4-7-17(27(34)35)25(18)33-26;1-8-6-11(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/h2-12H,13H2,1H3,(H,33,34)(H,35,36);1-12H,13H2,(H,32,33)(H,34,35);2-7H,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)
InChIKeyRQRXLXYPXXZMQU-UHFFFAOYSA-N
XLogP46.24
TPSA546.30 Ų
H-Bond Donors16
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms251
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003492.64
LogP ≤ 546.24
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid (CID 160701718) 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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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.Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccc(OCc5ccccc5)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(-c4ccc(OCc5ccccc5)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is RQRXLXYPXXZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F4N2O3.C27H16F4N2O3.C21H11F5N2O2.3C20H8F6N2O2.2C20H9F5N2O2/c1-14-11-18(28(35)36)26-19(12-14)33-27(34-26)21-24(31)22(29)20(23(30)25(21)32)16-7-9-17(10-8-16)37-13-15-5-3-2-4-6-15;28-21-19(15-9-11-16(12-10-15)36-13-14-5-2-1-3-6-14)22(29)24(31)20(23(21)30)26-32-18-8-4-7-17(27(34)35)25(18)33-26;1-8-6-11(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/h2-12H,13H2,1H3,(H,33,34)(H,35,36);1-12H,13H2,(H,32,33)(H,34,35);2-7H,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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 3492.64 g/mol, XLogP of 46.24, 30 rotatable bonds, 16 hydrogen bond donors, and 18 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;6-methyl-2-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)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-[2,3,5,6-tetrafluoro-4-(4-phenylmethoxyphenyl)phenyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 160701718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).