2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid

C107H76Cl2FN15O15 — CID 158277279

About 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid

2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid (PubChem CID 158277279) has the molecular formula C107H76Cl2FN15O15 and a molecular weight of 1901.78 g/mol. Its IUPAC name is 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid.

Molecular Properties

• Compound Name: 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid
• PubChem CID: 158277279
• Molecular Formula: C107H76Cl2FN15O15
• Molecular Weight: 1901.78 g/mol
• Exact Mass: 1899.50
• IUPAC Name: 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid
• SMILES: Cc1c(C(=O)O)cccc1-c1[nH]c(-c2ccccc2)nc1-c1cc[nH]c(=O)c1.Cc1ccc(C(=O)O)cc1-c1[nH]c(-c2ccccc2)nc1-c1cc[nH]c(=O)c1.O=C(O)c1ccc(Cl)c(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1.O=C(O)c1ccc(F)c(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1.O=C(O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1Cl
• InChI: InChI=1S/2C22H17N3O3.2C21H14ClN3O3.C21H14FN3O3/c1-13-16(8-5-9-17(13)22(27)28)20-19(15-10-11-23-18(26)12-15)24-21(25-20)14-6-3-2-4-7-14;1-13-7-8-16(22(27)28)11-17(13)20-19(15-9-10-23-18(26)12-15)24-21(25-20)14-5-3-2-4-6-14;22-17-14(7-4-8-15(17)21(27)28)19-18(13-9-10-23-16(26)11-13)24-20(25-19)12-5-2-1-3-6-12;2*22-16-7-6-14(21(27)28)10-15(16)19-18(13-8-9-23-17(26)11-13)24-20(25-19)12-4-2-1-3-5-12/h2*2-12H,1H3,(H,23,26)(H,24,25)(H,27,28);3*1-11H,(H,23,26)(H,24,25)(H,27,28)
• InChIKey: GJTKWIIJLNUQLM-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 494.20 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.78
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid?

The IUPAC name of 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid (CID 158277279) is 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid.

What is the SMILES notation for 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid?

The canonical SMILES for 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid is Cc1c(C(=O)O)cccc1-c1[nH]c(-c2ccccc2)nc1-c1cc[nH]c(=O)c1.Cc1ccc(C(=O)O)cc1-c1[nH]c(-c2ccccc2)nc1-c1cc[nH]c(=O)c1.O=C(O)c1ccc(Cl)c(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1.O=C(O)c1ccc(F)c(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1.O=C(O)c1cccc(-c2[nH]c(-c3ccccc3)nc2-c2cc[nH]c(=O)c2)c1Cl.

What is the InChIKey of 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid?

The InChIKey is GJTKWIIJLNUQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H17N3O3.2C21H14ClN3O3.C21H14FN3O3/c1-13-16(8-5-9-17(13)22(27)28)20-19(15-10-11-23-18(26)12-15)24-21(25-20)14-6-3-2-4-7-14;1-13-7-8-16(22(27)28)11-17(13)20-19(15-9-10-23-18(26)12-15)24-21(25-20)14-5-3-2-4-6-14;22-17-14(7-4-8-15(17)21(27)28)19-18(13-9-10-23-16(26)11-13)24-20(25-19)12-5-2-1-3-6-12;2*22-16-7-6-14(21(27)28)10-15(16)19-18(13-8-9-23-17(26)11-13)24-20(25-19)12-4-2-1-3-5-12/h2*2-12H,1H3,(H,23,26)(H,24,25)(H,27,28);3*1-11H,(H,23,26)(H,24,25)(H,27,28).

What are the key properties of 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid?

2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid has a molecular weight of 1901.78 g/mol, XLogP of 21.05, 20 rotatable bonds, 15 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-fluoro-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;2-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid;4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)-2-phenyl-1H-imidazol-5-yl]benzoic acid is sourced from PubChem (CID 158277279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).