4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid

C112H84Br2Cl4F4N10O21 — CID 91224186

About 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid

4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid (PubChem CID 91224186) has the molecular formula C112H84Br2Cl4F4N10O21 and a molecular weight of 2283.56 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid
• PubChem CID: 91224186
• Molecular Formula: C112H84Br2Cl4F4N10O21
• Molecular Weight: 2283.56 g/mol
• Exact Mass: 2278.29
• IUPAC Name: 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid
• SMILES: COc1ccc2nc(COc3ccc(C(=O)O)cc3OCc3ccc(Cl)cc3Cl)[nH]c2c1.Cc1ccccc1COc1cc(C(=O)O)ccc1OCc1nc2ccccc2[nH]1.O=C(O)c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)c(OCc2ccc(Br)cc2F)c1.O=C(O)c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OCc2ccc(Br)cc2F)c1.O=C(O)c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H18Cl2N2O5.C23H20N2O4.C22H15BrClFN2O4.C22H15BrF2N2O4.C22H16ClFN2O4/c1-30-16-5-6-18-19(10-16)27-22(26-18)12-32-20-7-3-13(23(28)29)8-21(20)31-11-14-2-4-15(24)9-17(14)25;1-15-6-2-3-7-17(15)13-28-21-12-16(23(26)27)10-11-20(21)29-14-22-24-18-8-4-5-9-19(18)25-22;2*23-14-3-1-13(16(25)8-14)10-30-20-7-12(22(28)29)2-6-19(20)31-11-21-26-17-5-4-15(24)9-18(17)27-21;23-15-4-1-13(2-5-15)11-29-20-9-14(22(27)28)3-8-19(20)30-12-21-25-17-7-6-16(24)10-18(17)26-21/h2-10H,11-12H2,1H3,(H,26,27)(H,28,29);2-12H,13-14H2,1H3,(H,24,25)(H,26,27);2*1-9H,10-11H2,(H,26,27)(H,28,29);1-10H,11-12H2,(H,25,26)(H,27,28)
• InChIKey: ODADGRXRPQSSAZ-UHFFFAOYSA-N
• XLogP: 27.11
• TPSA: 431.43 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2283.56
LogP ≤ 5	27.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid?

The IUPAC name of 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid (CID 91224186) is 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid.

What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid?

The canonical SMILES for 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid is COc1ccc2nc(COc3ccc(C(=O)O)cc3OCc3ccc(Cl)cc3Cl)[nH]c2c1.Cc1ccccc1COc1cc(C(=O)O)ccc1OCc1nc2ccccc2[nH]1.O=C(O)c1ccc(OCc2nc3ccc(Cl)cc3[nH]2)c(OCc2ccc(Br)cc2F)c1.O=C(O)c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OCc2ccc(Br)cc2F)c1.O=C(O)c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OCc2ccc(Cl)cc2)c1.

What is the InChIKey of 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid?

The InChIKey is ODADGRXRPQSSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O5.C23H20N2O4.C22H15BrClFN2O4.C22H15BrF2N2O4.C22H16ClFN2O4/c1-30-16-5-6-18-19(10-16)27-22(26-18)12-32-20-7-3-13(23(28)29)8-21(20)31-11-14-2-4-15(24)9-17(14)25;1-15-6-2-3-7-17(15)13-28-21-12-16(23(26)27)10-11-20(21)29-14-22-24-18-8-4-5-9-19(18)25-22;2*23-14-3-1-13(16(25)8-14)10-30-20-7-12(22(28)29)2-6-19(20)31-11-21-26-17-5-4-15(24)9-18(17)27-21;23-15-4-1-13(2-5-15)11-29-20-9-14(22(27)28)3-8-19(20)30-12-21-25-17-7-6-16(24)10-18(17)26-21/h2-10H,11-12H2,1H3,(H,26,27)(H,28,29);2-12H,13-14H2,1H3,(H,24,25)(H,26,27);2*1-9H,10-11H2,(H,26,27)(H,28,29);1-10H,11-12H2,(H,25,26)(H,27,28).

What are the key properties of 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid?

4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid has a molecular weight of 2283.56 g/mol, XLogP of 27.11, 36 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-ylmethoxy)-3-[(2-methylphenyl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-chloro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-bromo-2-fluorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(4-chlorophenyl)methoxy]-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]benzoic acid;3-[(2,4-dichlorophenyl)methoxy]-4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 91224186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).