3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

C97H101ClF2N20O15 — CID 158941041

About 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (PubChem CID 158941041) has the molecular formula C97H101ClF2N20O15 and a molecular weight of 1860.45 g/mol. Its IUPAC name is 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

Molecular Properties

• Compound Name: 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
• PubChem CID: 158941041
• Molecular Formula: C97H101ClF2N20O15
• Molecular Weight: 1860.45 g/mol
• Exact Mass: 1858.74
• IUPAC Name: 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
• SMILES: CN(C)CCc1nc(-c2cc(Cl)cc(C(=O)O)c2)c(-c2cc[nH]c(=O)c2)[nH]1.CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2cc[nH]c(=O)c2)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cccc(C(=O)O)c2F)[nH]1.Cc1cc(C(=O)O)cc(-c2nc(CCN(C)C)[nH]c2-c2cc[nH]c(=O)c2)c1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O
• InChI: InChI=1S/2C20H22N4O3.C19H19ClN4O3.2C19H19FN4O3/c1-12-8-14(10-15(9-12)20(26)27)19-18(13-4-6-21-17(25)11-13)22-16(23-19)5-7-24(2)3;1-12-4-5-13(10-15(12)20(26)27)18-19(14-6-8-21-17(25)11-14)23-16(22-18)7-9-24(2)3;2*1-24(2)6-4-15-22-17(11-3-5-21-16(25)10-11)18(23-15)12-7-13(19(26)27)9-14(20)8-12;1-24(2)9-7-14-22-17(11-6-8-21-15(25)10-11)18(23-14)12-4-3-5-13(16(12)20)19(26)27/h4,6,8-11H,5,7H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);4-6,8,10-11H,7,9H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);2*3,5,7-10H,4,6H2,1-2H3,(H,21,25)(H,22,23)(H,26,27);3-6,8,10H,7,9H2,1-2H3,(H,21,25)(H,22,23)(H,26,27)
• InChIKey: JKGDNZIFNXIEDR-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 510.40 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1860.45
LogP ≤ 5	12.72
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?

The IUPAC name of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (CID 158941041) is 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

What is the SMILES notation for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?

The canonical SMILES for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is CN(C)CCc1nc(-c2cc(Cl)cc(C(=O)O)c2)c(-c2cc[nH]c(=O)c2)[nH]1.CN(C)CCc1nc(-c2cc(F)cc(C(=O)O)c2)c(-c2cc[nH]c(=O)c2)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cccc(C(=O)O)c2F)[nH]1.Cc1cc(C(=O)O)cc(-c2nc(CCN(C)C)[nH]c2-c2cc[nH]c(=O)c2)c1.Cc1ccc(-c2nc(CCN(C)C)[nH]c2-c2cc[nH]c(=O)c2)cc1C(=O)O.

What is the InChIKey of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?

The InChIKey is JKGDNZIFNXIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22N4O3.C19H19ClN4O3.2C19H19FN4O3/c1-12-8-14(10-15(9-12)20(26)27)19-18(13-4-6-21-17(25)11-13)22-16(23-19)5-7-24(2)3;1-12-4-5-13(10-15(12)20(26)27)18-19(14-6-8-21-17(25)11-14)23-16(22-18)7-9-24(2)3;2*1-24(2)6-4-15-22-17(11-3-5-21-16(25)10-11)18(23-15)12-7-13(19(26)27)9-14(20)8-12;1-24(2)9-7-14-22-17(11-6-8-21-15(25)10-11)18(23-14)12-4-3-5-13(16(12)20)19(26)27/h4,6,8-11H,5,7H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);4-6,8,10-11H,7,9H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);2*3,5,7-10H,4,6H2,1-2H3,(H,21,25)(H,22,23)(H,26,27);3-6,8,10H,7,9H2,1-2H3,(H,21,25)(H,22,23)(H,26,27).

What are the key properties of 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?

3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid has a molecular weight of 1860.45 g/mol, XLogP of 12.72, 30 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[2-(dimethylamino)ethyl]-5-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is sourced from PubChem (CID 158941041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).