5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol

C73H71BN10O8S — CID 160682862

About 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol

5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol (PubChem CID 160682862) has the molecular formula C73H71BN10O8S and a molecular weight of 1259.31 g/mol. Its IUPAC name is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol.

Molecular Properties

• Compound Name: 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
• PubChem CID: 160682862
• Molecular Formula: C73H71BN10O8S
• Molecular Weight: 1259.31 g/mol
• Exact Mass: 1258.53
• IUPAC Name: 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4(O)NCCN4)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4=NCCN4)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12
• InChI: InChI=1S/C27H29BN2O5S.C23H22N4O2.C23H20N4O/c1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-29-21-8-3-2-7-18(21)20-14-25-22-19(20)12-16(13-24-22)15-5-4-6-17(11-15)23(28)26-9-10-27-23;1-28-21-8-3-2-7-18(21)20-14-27-23-19(20)12-17(13-26-23)15-5-4-6-16(11-15)22-24-9-10-25-22/h7-17H,1-6H3;2-8,11-14,26-28H,9-10H2,1H3,(H,24,25);2-8,11-14H,9-10H2,1H3,(H,24,25)(H,26,27)
• InChIKey: ROJLXRZYBQBDOK-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 224.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1259.31
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The IUPAC name of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol (CID 160682862) is 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol.

What is the SMILES notation for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The canonical SMILES for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol is COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4(O)NCCN4)c3)cc12.COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4=NCCN4)c3)cc12.COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.

What is the InChIKey of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The InChIKey is ROJLXRZYBQBDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29BN2O5S.C23H22N4O2.C23H20N4O/c1-18-11-13-20(14-12-18)36(31,32)30-17-23(21-9-7-8-10-24(21)33-6)22-15-19(16-29-25(22)30)28-34-26(2,3)27(4,5)35-28;1-29-21-8-3-2-7-18(21)20-14-25-22-19(20)12-16(13-24-22)15-5-4-6-17(11-15)23(28)26-9-10-27-23;1-28-21-8-3-2-7-18(21)20-14-27-23-19(20)12-17(13-26-23)15-5-4-6-16(11-15)22-24-9-10-25-22/h7-17H,1-6H3;2-8,11-14,26-28H,9-10H2,1H3,(H,24,25);2-8,11-14H,9-10H2,1H3,(H,24,25)(H,26,27).

What are the key properties of 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol has a molecular weight of 1259.31 g/mol, XLogP of 12.01, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol is sourced from PubChem (CID 160682862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).