2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate

C88H79Br2Cl2N15O9 — CID 158606774

About 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate

2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate (PubChem CID 158606774) has the molecular formula C88H79Br2Cl2N15O9 and a molecular weight of 1721.41 g/mol. Its IUPAC name is 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate
• PubChem CID: 158606774
• Molecular Formula: C88H79Br2Cl2N15O9
• Molecular Weight: 1721.41 g/mol
• Exact Mass: 1717.39
• IUPAC Name: 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate
• SMILES: CCN1CCN(c2ccc(Cn3ccnc3-c3cc(C(=O)O)ccn3)c3c2CCCC3)CC1.COC(=O)c1ccnc(-c2ncc(Br)n2Cc2ccc(Oc3ccccc3)cc2)c1.O=C(O)c1ccnc(-c2ncc(-c3ccccn3)n2CCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-c2ncc(Br)n2CCc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C26H31N5O2.C23H18BrN3O3.C22H17ClN4O2.C17H13BrClN3O2/c1-2-29-13-15-30(16-14-29)24-8-7-20(21-5-3-4-6-22(21)24)18-31-12-11-28-25(31)23-17-19(26(32)33)9-10-27-23;1-29-23(28)17-11-12-25-20(13-17)22-26-14-21(24)27(22)15-16-7-9-19(10-8-16)30-18-5-3-2-4-6-18;23-17-6-4-15(5-7-17)9-12-27-20(18-3-1-2-10-24-18)14-26-21(27)19-13-16(22(28)29)8-11-25-19;18-15-10-21-16(14-9-12(17(23)24)5-7-20-14)22(15)8-6-11-1-3-13(19)4-2-11/h7-12,17H,2-6,13-16,18H2,1H3,(H,32,33);2-14H,15H2,1H3;1-8,10-11,13-14H,9,12H2,(H,28,29);1-5,7,9-10H,6,8H2,(H,23,24)
• InChIKey: HWIATSICDKKKTB-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 289.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1721.41
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate?

The IUPAC name of 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate (CID 158606774) is 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate.

What is the SMILES notation for 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate?

The canonical SMILES for 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate is CCN1CCN(c2ccc(Cn3ccnc3-c3cc(C(=O)O)ccn3)c3c2CCCC3)CC1.COC(=O)c1ccnc(-c2ncc(Br)n2Cc2ccc(Oc3ccccc3)cc2)c1.O=C(O)c1ccnc(-c2ncc(-c3ccccn3)n2CCc2ccc(Cl)cc2)c1.O=C(O)c1ccnc(-c2ncc(Br)n2CCc2ccc(Cl)cc2)c1.

What is the InChIKey of 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate?

The InChIKey is HWIATSICDKKKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2.C23H18BrN3O3.C22H17ClN4O2.C17H13BrClN3O2/c1-2-29-13-15-30(16-14-29)24-8-7-20(21-5-3-4-6-22(21)24)18-31-12-11-28-25(31)23-17-19(26(32)33)9-10-27-23;1-29-23(28)17-11-12-25-20(13-17)22-26-14-21(24)27(22)15-16-7-9-19(10-8-16)30-18-5-3-2-4-6-18;23-17-6-4-15(5-7-17)9-12-27-20(18-3-1-2-10-24-18)14-26-21(27)19-13-16(22(28)29)8-11-25-19;18-15-10-21-16(14-9-12(17(23)24)5-7-20-14)22(15)8-6-11-1-3-13(19)4-2-11/h7-12,17H,2-6,13-16,18H2,1H3,(H,32,33);2-14H,15H2,1H3;1-8,10-11,13-14H,9,12H2,(H,28,29);1-5,7,9-10H,6,8H2,(H,23,24).

What are the key properties of 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate?

2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate has a molecular weight of 1721.41 g/mol, XLogP of 17.95, 23 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-bromo-1-[2-(4-chlorophenyl)ethyl]imidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[2-(4-chlorophenyl)ethyl]-5-pyridin-2-ylimidazol-2-yl]pyridine-4-carboxylic acid;2-[1-[[4-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]methyl]imidazol-2-yl]pyridine-4-carboxylic acid;methyl 2-[5-bromo-1-[(4-phenoxyphenyl)methyl]imidazol-2-yl]pyridine-4-carboxylate is sourced from PubChem (CID 158606774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).