5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid

C71H52Cl7F4N13O12 — CID 162159398

About 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid

5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid (PubChem CID 162159398) has the molecular formula C71H52Cl7F4N13O12 and a molecular weight of 1603.44 g/mol. Its IUPAC name is 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid
• PubChem CID: 162159398
• Molecular Formula: C71H52Cl7F4N13O12
• Molecular Weight: 1603.44 g/mol
• Exact Mass: 1599.16
• IUPAC Name: 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid
• SMILES: CCn1cc(C(=O)O)nc1-c1ccccc1Cl.Cn1c(-c2ccccc2Cl)nc(C(=O)O)c1Cl.Cn1c(-c2ccccc2Cl)nc(Cl)c1C(=O)O.Cn1c(C(=O)O)cnc1-c1c(F)cccc1F.Cn1nc(C(=O)O)nc1-c1c(F)cccc1F.O=C(O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2Cl)n1
• InChI: InChI=1S/C16H10Cl2N2O2.C12H11ClN2O2.2C11H8Cl2N2O2.C11H8F2N2O2.C10H7F2N3O2/c17-10-4-3-5-11(8-10)20-9-14(16(21)22)19-15(20)12-6-1-2-7-13(12)18;1-2-15-7-10(12(16)17)14-11(15)8-5-3-4-6-9(8)13;1-15-8(11(16)17)9(13)14-10(15)6-4-2-3-5-7(6)12;1-15-9(13)8(11(16)17)14-10(15)6-4-2-3-5-7(6)12;1-15-8(11(16)17)5-14-10(15)9-6(12)3-2-4-7(9)13;1-15-9(13-8(14-15)10(16)17)7-5(11)3-2-4-6(7)12/h1-9H,(H,21,22);3-7H,2H2,1H3,(H,16,17);3*2-5H,1H3,(H,16,17);2-4H,1H3,(H,16,17)
• InChIKey: ZMGRQQFZVJRWKV-UHFFFAOYSA-N
• XLogP: 17.17
• TPSA: 343.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1603.44
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid?

The IUPAC name of 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid (CID 162159398) is 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid.

What is the SMILES notation for 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid?

The canonical SMILES for 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid is CCn1cc(C(=O)O)nc1-c1ccccc1Cl.Cn1c(-c2ccccc2Cl)nc(C(=O)O)c1Cl.Cn1c(-c2ccccc2Cl)nc(Cl)c1C(=O)O.Cn1c(C(=O)O)cnc1-c1c(F)cccc1F.Cn1nc(C(=O)O)nc1-c1c(F)cccc1F.O=C(O)c1cn(-c2cccc(Cl)c2)c(-c2ccccc2Cl)n1.

What is the InChIKey of 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid?

The InChIKey is ZMGRQQFZVJRWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2.C12H11ClN2O2.2C11H8Cl2N2O2.C11H8F2N2O2.C10H7F2N3O2/c17-10-4-3-5-11(8-10)20-9-14(16(21)22)19-15(20)12-6-1-2-7-13(12)18;1-2-15-7-10(12(16)17)14-11(15)8-5-3-4-6-9(8)13;1-15-8(11(16)17)9(13)14-10(15)6-4-2-3-5-7(6)12;1-15-9(13)8(11(16)17)14-10(15)6-4-2-3-5-7(6)12;1-15-8(11(16)17)5-14-10(15)9-6(12)3-2-4-7(9)13;1-15-9(13-8(14-15)10(16)17)7-5(11)3-2-4-6(7)12/h1-9H,(H,21,22);3-7H,2H2,1H3,(H,16,17);3*2-5H,1H3,(H,16,17);2-4H,1H3,(H,16,17).

What are the key properties of 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid?

5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid has a molecular weight of 1603.44 g/mol, XLogP of 17.17, 14 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(2-chlorophenyl)-1-methylimidazole-4-carboxylic acid;5-chloro-2-(2-chlorophenyl)-3-methylimidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-(3-chlorophenyl)imidazole-4-carboxylic acid;2-(2-chlorophenyl)-1-ethylimidazole-4-carboxylic acid;2-(2,6-difluorophenyl)-3-methylimidazole-4-carboxylic acid;5-(2,6-difluorophenyl)-1-methyl-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 162159398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).