2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid

C87H71Cl3N12O10 — CID 159456607

About 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid

2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 159456607) has the molecular formula C87H71Cl3N12O10 and a molecular weight of 1550.96 g/mol. Its IUPAC name is 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
• PubChem CID: 159456607
• Molecular Formula: C87H71Cl3N12O10
• Molecular Weight: 1550.96 g/mol
• Exact Mass: 1548.45
• IUPAC Name: 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid
• SMILES: COc1cc(Cl)ccc1CCn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.COc1ccc(CCn2c(-c3cc(C(=O)O)ccn3)nc3ccccc32)cc1.Cc1cc(Cl)ccc1CCn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.O=C(O)c1ccnc(-c2nc3ccccc3n2CCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C22H18ClN3O3.C22H18ClN3O2.C22H19N3O3.C21H16ClN3O2/c1-29-20-13-16(23)7-6-14(20)9-11-26-19-5-3-2-4-17(19)25-21(26)18-12-15(22(27)28)8-10-24-18;1-14-12-17(23)7-6-15(14)9-11-26-20-5-3-2-4-18(20)25-21(26)19-13-16(22(27)28)8-10-24-19;1-28-17-8-6-15(7-9-17)11-13-25-20-5-3-2-4-18(20)24-21(25)19-14-16(22(26)27)10-12-23-19;22-16-7-5-14(6-8-16)10-12-25-19-4-2-1-3-17(19)24-20(25)18-13-15(21(26)27)9-11-23-18/h2-8,10,12-13H,9,11H2,1H3,(H,27,28);2-8,10,12-13H,9,11H2,1H3,(H,27,28);2-10,12,14H,11,13H2,1H3,(H,26,27);1-9,11,13H,10,12H2,(H,26,27)
• InChIKey: LUBALYFCOXDTAI-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 290.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.96
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid (CID 159456607) is 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid is COc1cc(Cl)ccc1CCn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.COc1ccc(CCn2c(-c3cc(C(=O)O)ccn3)nc3ccccc32)cc1.Cc1cc(Cl)ccc1CCn1c(-c2cc(C(=O)O)ccn2)nc2ccccc21.O=C(O)c1ccnc(-c2nc3ccccc3n2CCc2ccc(Cl)cc2)c1.

What is the InChIKey of 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?

The InChIKey is LUBALYFCOXDTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3.C22H18ClN3O2.C22H19N3O3.C21H16ClN3O2/c1-29-20-13-16(23)7-6-14(20)9-11-26-19-5-3-2-4-17(19)25-21(26)18-12-15(22(27)28)8-10-24-18;1-14-12-17(23)7-6-15(14)9-11-26-20-5-3-2-4-18(20)25-21(26)19-13-16(22(27)28)8-10-24-19;1-28-17-8-6-15(7-9-17)11-13-25-20-5-3-2-4-18(20)24-21(25)19-14-16(22(26)27)10-12-23-19;22-16-7-5-14(6-8-16)10-12-25-19-4-2-1-3-17(19)24-20(25)18-13-15(21(26)27)9-11-23-18/h2-8,10,12-13H,9,11H2,1H3,(H,27,28);2-8,10,12-13H,9,11H2,1H3,(H,27,28);2-10,12,14H,11,13H2,1H3,(H,26,27);1-9,11,13H,10,12H2,(H,26,27).

What are the key properties of 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid?

2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 1550.96 g/mol, XLogP of 18.44, 22 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-chloro-2-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chloro-2-methylphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-methoxyphenyl)ethyl]benzimidazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159456607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).