5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole

C65H67BIN7O6S — CID 158594162

About 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole

5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole (PubChem CID 158594162) has the molecular formula C65H67BIN7O6S and a molecular weight of 1212.08 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole.

Molecular Properties

• Compound Name: 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole
• PubChem CID: 158594162
• Molecular Formula: C65H67BIN7O6S
• Molecular Weight: 1212.08 g/mol
• Exact Mass: 1211.40
• IUPAC Name: 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole
• SMILES: C.CC1(C)OB(c2ccc(-c3ncc[nH]3)cc2)OC1(C)C.COc1cc(-c2cnc3c(c2)C(c2ccc(-c4ncc[nH]4)cc2)=CC3)cc(C)c1C.COc1cc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(C)c1C
• InChI: InChI=1S/C26H23N3O.C23H21IN2O3S.C15H19BN2O2.CH4/c1-16-12-20(14-25(30-3)17(16)2)21-13-23-22(8-9-24(23)29-15-21)18-4-6-19(7-5-18)26-27-10-11-28-26;1-14-5-7-19(8-6-14)30(27,28)26-13-21(24)20-10-18(12-25-23(20)26)17-9-15(2)16(3)22(11-17)29-4;1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13;/h4-8,10-15H,9H2,1-3H3,(H,27,28);5-13H,1-4H3;5-10H,1-4H3,(H,17,18);1H4
• InChIKey: HUUUFNLHLKWFRJ-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 159.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.08
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole?

The IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole (CID 158594162) is 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole.

What is the SMILES notation for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole?

The canonical SMILES for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole is C.CC1(C)OB(c2ccc(-c3ncc[nH]3)cc2)OC1(C)C.COc1cc(-c2cnc3c(c2)C(c2ccc(-c4ncc[nH]4)cc2)=CC3)cc(C)c1C.COc1cc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(C)c1C.

What is the InChIKey of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole?

The InChIKey is HUUUFNLHLKWFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O.C23H21IN2O3S.C15H19BN2O2.CH4/c1-16-12-20(14-25(30-3)17(16)2)21-13-23-22(8-9-24(23)29-15-21)18-4-6-19(7-5-18)26-27-10-11-28-26;1-14-5-7-19(8-6-14)30(27,28)26-13-21(24)20-10-18(12-25-23(20)26)17-9-15(2)16(3)22(11-17)29-4;1-14(2)15(3,4)20-16(19-14)12-7-5-11(6-8-12)13-17-9-10-18-13;/h4-8,10-15H,9H2,1-3H3,(H,27,28);5-13H,1-4H3;5-10H,1-4H3,(H,17,18);1H4.

What are the key properties of 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole?

5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole has a molecular weight of 1212.08 g/mol, XLogP of 14.24, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1H-imidazol-2-yl)phenyl]-3-(3-methoxy-4,5-dimethylphenyl)-7H-cyclopenta[b]pyridine;3-iodo-5-(3-methoxy-4,5-dimethylphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole is sourced from PubChem (CID 158594162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).