3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine

C84H80BBr4N17O2 — CID 161268415

About 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine

3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine (PubChem CID 161268415) has the molecular formula C84H80BBr4N17O2 and a molecular weight of 1690.11 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine
• PubChem CID: 161268415
• Molecular Formula: C84H80BBr4N17O2
• Molecular Weight: 1690.11 g/mol
• Exact Mass: 1685.35
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine
• SMILES: Cc1c(Br)cncc1Br.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1cncc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1C.Cc1cncc(Br)c1C.Cc1cncc(Br)c1C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21
• InChI: InChI=1S/C22H19N5.C21H23BN4O2.C21H17N5.2C7H8BrN.C6H5Br2N/c1-13-11-23-12-17(14(13)2)15-8-9-20-16(10-15)21(26-27(20)3)22-24-18-6-4-5-7-19(18)25-22;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21;2*1-5-3-9-4-7(8)6(5)2;1-4-5(7)2-9-3-6(4)8/h4-12H,1-3H3,(H,24,25);6-12H,1-5H3,(H,23,24);3-11H,1-2H3,(H,23,24)(H,25,26);2*3-4H,1-2H3;2-3H,1H3
• InChIKey: VDMMKPWWBLDUOP-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 233.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.11
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine (CID 161268415) is 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine is Cc1c(Br)cncc1Br.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1cncc(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3C)c1C.Cc1cncc(Br)c1C.Cc1cncc(Br)c1C.Cn1nc(-c2nc3ccccc3[nH]2)c2cc(B3OC(C)(C)C(C)(C)O3)ccc21.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine?

The InChIKey is VDMMKPWWBLDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5.C21H23BN4O2.C21H17N5.2C7H8BrN.C6H5Br2N/c1-13-11-23-12-17(14(13)2)15-8-9-20-16(10-15)21(26-27(20)3)22-24-18-6-4-5-7-19(18)25-22;1-20(2)21(3,4)28-22(27-20)13-10-11-17-14(12-13)18(25-26(17)5)19-23-15-8-6-7-9-16(15)24-19;1-12-10-22-11-16(13(12)2)14-7-8-17-15(9-14)20(26-25-17)21-23-18-5-3-4-6-19(18)24-21;2*1-5-3-9-4-7(8)6(5)2;1-4-5(7)2-9-3-6(4)8/h4-12H,1-3H3,(H,24,25);6-12H,1-5H3,(H,23,24);3-11H,1-2H3,(H,23,24)(H,25,26);2*3-4H,1-2H3;2-3H,1H3.

What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine?

3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine has a molecular weight of 1690.11 g/mol, XLogP of 20.83, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-(4,5-dimethyl-3-pyridinyl)-1-methylindazole;3-(1H-benzimidazol-2-yl)-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis(3-bromo-4,5-dimethylpyridine);3,5-dibromo-4-methylpyridine is sourced from PubChem (CID 161268415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).