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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane

C99H96BBr4N17O4 — CID 158649397

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane (PubChem CID 158649397) has the molecular formula C99H96BBr4N17O4 and a molecular weight of 1918.40 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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane.

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane
• PubChem CID: 158649397
• Molecular Formula: C99H96BBr4N17O4
• Molecular Weight: 1918.40 g/mol
• Exact Mass: 1913.47
• 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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane
• SMILES: C.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(C)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1Br.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1cncc(Br)c1C.Cc1cncc(Br)c1C
• InChI: InChI=1S/C29H25N5O.C28H29BN4O3.C21H17N5.2C7H8BrN.C6H5Br2N.CH4/c1-18-15-30-16-24(19(18)2)21-10-13-27-23(14-21)28(29-31-25-6-4-5-7-26(25)32-29)33-34(27)17-20-8-11-22(35-3)12-9-20;1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;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;/h4-16H,17H2,1-3H3,(H,31,32);6-16H,17H2,1-5H3,(H,30,31);3-11H,1-2H3,(H,23,24)(H,25,26);2*3-4H,1-2H3;2-3H,1H3;1H4
• InChIKey: IBJALWRMZJWCHE-UHFFFAOYSA-N
• XLogP: 24.51
• TPSA: 251.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1918.40
LogP ≤ 5	24.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane?

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane (CID 158649397) 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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane.

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane?

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane is C.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(-c4cncc(C)c4C)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4ccccc4[nH]3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1.Cc1c(Br)cncc1Br.Cc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.Cc1cncc(Br)c1C.Cc1cncc(Br)c1C.

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane?

The InChIKey is IBJALWRMZJWCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O.C28H29BN4O3.C21H17N5.2C7H8BrN.C6H5Br2N.CH4/c1-18-15-30-16-24(19(18)2)21-10-13-27-23(14-21)28(29-31-25-6-4-5-7-26(25)32-29)33-34(27)17-20-8-11-22(35-3)12-9-20;1-27(2)28(3,4)36-29(35-27)19-12-15-24-21(16-19)25(26-30-22-8-6-7-9-23(22)31-26)32-33(24)17-18-10-13-20(34-5)14-11-18;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;/h4-16H,17H2,1-3H3,(H,31,32);6-16H,17H2,1-5H3,(H,30,31);3-11H,1-2H3,(H,23,24)(H,25,26);2*3-4H,1-2H3;2-3H,1H3;1H4.

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane?

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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane has a molecular weight of 1918.40 g/mol, XLogP of 24.51, 12 rotatable bonds, 4 hydrogen bond donors, and 17 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-[(4-methoxyphenyl)methyl]indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)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;methane is sourced from PubChem (CID 158649397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).