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

C97H101Cl2FN20O15 — CID 159113859

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

2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid (PubChem CID 159113859) has the molecular formula C97H101Cl2FN20O15 and a molecular weight of 1876.90 g/mol. Its IUPAC name is 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid.

Molecular Properties

• Compound Name: 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid
• PubChem CID: 159113859
• Molecular Formula: C97H101Cl2FN20O15
• Molecular Weight: 1876.90 g/mol
• Exact Mass: 1874.71
• IUPAC Name: 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid
• SMILES: CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cc(C(=O)O)ccc2Cl)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cc(C(=O)O)ccc2F)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cccc(C(=O)O)c2Cl)[nH]1.Cc1c(C(=O)O)cccc1-c1[nH]c(CCN(C)C)nc1-c1cc[nH]c(=O)c1.Cc1ccc(C(=O)O)cc1-c1[nH]c(CCN(C)C)nc1-c1cc[nH]c(=O)c1
• InChI: InChI=1S/2C20H22N4O3.2C19H19ClN4O3.C19H19FN4O3/c1-12-4-5-14(20(26)27)10-15(12)19-18(13-6-8-21-17(25)11-13)22-16(23-19)7-9-24(2)3;1-12-14(5-4-6-15(12)20(26)27)19-18(13-7-9-21-17(25)11-13)22-16(23-19)8-10-24(2)3;1-24(2)8-6-15-22-17(11-5-7-21-16(25)10-11)18(23-15)13-9-12(19(26)27)3-4-14(13)20;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;1-24(2)8-6-15-22-17(11-5-7-21-16(25)10-11)18(23-15)13-9-12(19(26)27)3-4-14(13)20/h4-6,8,10-11H,7,9H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);4-7,9,11H,8,10H2,1-3H3,(H,21,25)(H,22,23)(H,26,27);3-5,7,9-10H,6,8H2,1-2H3,(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);3-5,7,9-10H,6,8H2,1-2H3,(H,21,25)(H,22,23)(H,26,27)
• InChIKey: KEVIXPKNMQAITI-UHFFFAOYSA-N
• XLogP: 13.23
• 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	1876.90
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid (CID 159113859) is 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid.

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

The canonical SMILES for 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid is CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cc(C(=O)O)ccc2Cl)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cc(C(=O)O)ccc2F)[nH]1.CN(C)CCc1nc(-c2cc[nH]c(=O)c2)c(-c2cccc(C(=O)O)c2Cl)[nH]1.Cc1c(C(=O)O)cccc1-c1[nH]c(CCN(C)C)nc1-c1cc[nH]c(=O)c1.Cc1ccc(C(=O)O)cc1-c1[nH]c(CCN(C)C)nc1-c1cc[nH]c(=O)c1.

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

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

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

2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid has a molecular weight of 1876.90 g/mol, XLogP of 13.23, 30 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;4-chloro-3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]benzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-fluorobenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-2-methylbenzoic acid;3-[2-[2-(dimethylamino)ethyl]-4-(2-oxo-1H-pyridin-4-yl)-1H-imidazol-5-yl]-4-methylbenzoic acid is sourced from PubChem (CID 159113859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).