3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid

C67H58BIN12O8 — CID 159109292

About 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid

3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid (PubChem CID 159109292) has the molecular formula C67H58BIN12O8 and a molecular weight of 1296.99 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
• PubChem CID: 159109292
• Molecular Formula: C67H58BIN12O8
• Molecular Weight: 1296.99 g/mol
• Exact Mass: 1296.36
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
• SMILES: COc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1OC.COc1cccc(B(O)O)c1OC.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21
• InChI: InChI=1S/C23H20N4O2.C21H16N4O2.C15H11IN4.C8H11BO4/c1-27-19-12-11-14(15-7-6-10-20(28-2)22(15)29-3)13-16(19)21(26-27)23-24-17-8-4-5-9-18(17)25-23;1-27-20-13(5-4-8-18(20)26)12-9-10-15-14(11-12)19(25-24-15)21-22-16-6-2-3-7-17(16)23-21;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-12-7-5-3-4-6(9(10)11)8(7)13-2/h4-13H,1-3H3,(H,24,25);2-11,26H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,17,18);3-5,10-11H,1-2H3
• InChIKey: KEGZHOIYADUHEP-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 257.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1296.99
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

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 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid (CID 159109292) is 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid is COc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.COc1cccc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1OC.COc1cccc(B(O)O)c1OC.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(I)ccc21.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid?

The InChIKey is KEGZHOIYADUHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2.C21H16N4O2.C15H11IN4.C8H11BO4/c1-27-19-12-11-14(15-7-6-10-20(28-2)22(15)29-3)13-16(19)21(26-27)23-24-17-8-4-5-9-18(17)25-23;1-27-20-13(5-4-8-18(20)26)12-9-10-15-14(11-12)19(25-24-15)21-22-16-6-2-3-7-17(16)23-21;1-20-13-7-6-9(16)8-10(13)14(19-20)15-17-11-4-2-3-5-12(11)18-15;1-12-7-5-3-4-6(9(10)11)8(7)13-2/h4-13H,1-3H3,(H,24,25);2-11,26H,1H3,(H,22,23)(H,24,25);2-8H,1H3,(H,17,18);3-5,10-11H,1-2H3.

What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid?

3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid has a molecular weight of 1296.99 g/mol, XLogP of 12.39, 11 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid is sourced from PubChem (CID 159109292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).