3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

C137H126ClF2N25O15 — CID 158188170

About 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid

3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (PubChem CID 158188170) has the molecular formula C137H126ClF2N25O15 and a molecular weight of 2436.12 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

Molecular Properties

• Compound Name: 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
• PubChem CID: 158188170
• Molecular Formula: C137H126ClF2N25O15
• Molecular Weight: 2436.12 g/mol
• Exact Mass: 2433.95
• IUPAC Name: 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid
• SMILES: CN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)c(-c3cccc(C(=O)O)c3F)[nH]2)cc1.Cc1cc(C(=O)O)cc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)c1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O
• InChI: InChI=1S/2C28H27N5O3.C27H24ClN5O3.2C27H24FN5O3/c1-17-14-19(16-20(15-17)28(34)35)24-25(22-8-10-29-27-23(22)9-11-30-27)32-26(31-24)18-4-6-21(7-5-18)36-13-12-33(2)3;1-17-4-5-19(16-23(17)28(34)35)24-25(21-10-12-29-27-22(21)11-13-30-27)32-26(31-24)18-6-8-20(9-7-18)36-15-14-33(2)3;2*1-33(2)11-12-36-20-5-3-16(4-6-20)25-31-23(17-13-18(27(34)35)15-19(28)14-17)24(32-25)21-7-9-29-26-22(21)8-10-30-26;1-33(2)14-15-36-17-8-6-16(7-9-17)25-31-23(18-10-12-29-26-19(18)11-13-30-26)24(32-25)20-4-3-5-21(22(20)28)27(34)35/h4-11,14-16H,12-13H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);4-13,16H,14-15H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);2*3-10,13-15H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H,34,35);3-13H,14-15H2,1-2H3,(H,29,30)(H,31,32)(H,34,35)
• InChIKey: FZKCKJILSIQUIY-UHFFFAOYSA-N
• XLogP: 26.18
• TPSA: 535.65 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2436.12
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid (CID 158188170) is 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid.

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

The canonical SMILES for 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is CN(C)CCOc1ccc(-c2nc(-c3cc(Cl)cc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3cc(F)cc(C(=O)O)c3)c(-c3ccnc4[nH]ccc34)[nH]2)cc1.CN(C)CCOc1ccc(-c2nc(-c3ccnc4[nH]ccc34)c(-c3cccc(C(=O)O)c3F)[nH]2)cc1.Cc1cc(C(=O)O)cc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)c1.Cc1ccc(-c2nc(-c3ccc(OCCN(C)C)cc3)[nH]c2-c2ccnc3[nH]ccc23)cc1C(=O)O.

What is the InChIKey of 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid?

The InChIKey is FZKCKJILSIQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5O3.C27H24ClN5O3.2C27H24FN5O3/c1-17-14-19(16-20(15-17)28(34)35)24-25(22-8-10-29-27-23(22)9-11-30-27)32-26(31-24)18-4-6-21(7-5-18)36-13-12-33(2)3;1-17-4-5-19(16-23(17)28(34)35)24-25(21-10-12-29-27-22(21)11-13-30-27)32-26(31-24)18-6-8-20(9-7-18)36-15-14-33(2)3;2*1-33(2)11-12-36-20-5-3-16(4-6-20)25-31-23(17-13-18(27(34)35)15-19(28)14-17)24(32-25)21-7-9-29-26-22(21)8-10-30-26;1-33(2)14-15-36-17-8-6-16(7-9-17)25-31-23(18-10-12-29-26-19(18)11-13-30-26)24(32-25)20-4-3-5-21(22(20)28)27(34)35/h4-11,14-16H,12-13H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);4-13,16H,14-15H2,1-3H3,(H,29,30)(H,31,32)(H,34,35);2*3-10,13-15H,11-12H2,1-2H3,(H,29,30)(H,31,32)(H,34,35);3-13H,14-15H2,1-2H3,(H,29,30)(H,31,32)(H,34,35).

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

3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid has a molecular weight of 2436.12 g/mol, XLogP of 26.18, 40 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]benzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-5-yl]-2-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-fluorobenzoic acid;3-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-5-methylbenzoic acid;5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-4-yl]-2-methylbenzoic acid is sourced from PubChem (CID 158188170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).