2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid

C122H104ClN19O14 — CID 159062196

About 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid

2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 159062196) has the molecular formula C122H104ClN19O14 and a molecular weight of 2095.75 g/mol. Its IUPAC name is 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid
• PubChem CID: 159062196
• Molecular Formula: C122H104ClN19O14
• Molecular Weight: 2095.75 g/mol
• Exact Mass: 2093.77
• IUPAC Name: 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid
• SMILES: COC(=O)c1ccnc(-c2ncc(-c3ccccn3)n2Cc2ccc(Oc3ccccc3)cc2)c1.COC(=O)c1ccnc(-c2nccn2CCc2ccc(Cl)cc2)c1.COC(=O)c1ccnc(-c2nccn2Cc2ccc(N(C)c3ccc(OC)cc3)cc2)c1.COc1ccc(N(C)c2ccc(Cn3ccnc3-c3cc(C(=O)O)ccn3)cc2)cc1.O=C(O)c1ccnc(-c2ncc(-c3ccccn3)n2Cc2ccc(Oc3ccccc3)cc2)c1
• InChI: InChI=1S/C28H22N4O3.C27H20N4O3.C25H24N4O3.C24H22N4O3.C18H16ClN3O2/c1-34-28(33)21-14-16-30-25(17-21)27-31-18-26(24-9-5-6-15-29-24)32(27)19-20-10-12-23(13-11-20)35-22-7-3-2-4-8-22;32-27(33)20-13-15-29-24(16-20)26-30-17-25(23-8-4-5-14-28-23)31(26)18-19-9-11-22(12-10-19)34-21-6-2-1-3-7-21;1-28(21-8-10-22(31-2)11-9-21)20-6-4-18(5-7-20)17-29-15-14-27-24(29)23-16-19(12-13-26-23)25(30)32-3;1-27(20-7-9-21(31-2)10-8-20)19-5-3-17(4-6-19)16-28-14-13-26-23(28)22-15-18(24(29)30)11-12-25-22;1-24-18(23)14-6-8-20-16(12-14)17-21-9-11-22(17)10-7-13-2-4-15(19)5-3-13/h2-18H,19H2,1H3;1-17H,18H2,(H,32,33);4-16H,17H2,1-3H3;3-15H,16H2,1-2H3,(H,29,30);2-6,8-9,11-12H,7,10H2,1H3
• InChIKey: JYPMWJVNVKSXTB-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 376.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2095.75
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid?

The IUPAC name of 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid (CID 159062196) is 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid.

What is the SMILES notation for 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid?

The canonical SMILES for 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid is COC(=O)c1ccnc(-c2ncc(-c3ccccn3)n2Cc2ccc(Oc3ccccc3)cc2)c1.COC(=O)c1ccnc(-c2nccn2CCc2ccc(Cl)cc2)c1.COC(=O)c1ccnc(-c2nccn2Cc2ccc(N(C)c3ccc(OC)cc3)cc2)c1.COc1ccc(N(C)c2ccc(Cn3ccnc3-c3cc(C(=O)O)ccn3)cc2)cc1.O=C(O)c1ccnc(-c2ncc(-c3ccccn3)n2Cc2ccc(Oc3ccccc3)cc2)c1.

What is the InChIKey of 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid?

The InChIKey is JYPMWJVNVKSXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3.C27H20N4O3.C25H24N4O3.C24H22N4O3.C18H16ClN3O2/c1-34-28(33)21-14-16-30-25(17-21)27-31-18-26(24-9-5-6-15-29-24)32(27)19-20-10-12-23(13-11-20)35-22-7-3-2-4-8-22;32-27(33)20-13-15-29-24(16-20)26-30-17-25(23-8-4-5-14-28-23)31(26)18-19-9-11-22(12-10-19)34-21-6-2-1-3-7-21;1-28(21-8-10-22(31-2)11-9-21)20-6-4-18(5-7-20)17-29-15-14-27-24(29)23-16-19(12-13-26-23)25(30)32-3;1-27(20-7-9-21(31-2)10-8-20)19-5-3-17(4-6-19)16-28-14-13-26-23(28)22-15-18(24(29)30)11-12-25-22;1-24-18(23)14-6-8-20-16(12-14)17-21-9-11-22(17)10-7-13-2-4-15(19)5-3-13/h2-18H,19H2,1H3;1-17H,18H2,(H,32,33);4-16H,17H2,1-3H3;3-15H,16H2,1-2H3,(H,29,30);2-6,8-9,11-12H,7,10H2,1H3.

What are the key properties of 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid?

2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 2095.75 g/mol, XLogP of 23.83, 33 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[[4-(4-methoxy-N-methylanilino)phenyl]methyl]imidazol-2-yl]pyridine-4-carboxylate;methyl 2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylate;2-[1-[(4-phenoxyphenyl)methyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 159062196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).