4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C60H72Cl2N8O5Si3 — CID 159236369

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159236369) has the molecular formula C60H72Cl2N8O5Si3 and a molecular weight of 1140.45 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 159236369
• Molecular Formula: C60H72Cl2N8O5Si3
• Molecular Weight: 1140.45 g/mol
• Exact Mass: 1138.43
• IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1cc(O)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.Cc1cc(OCOCC[Si](C)(C)C)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C39H57ClN4O4Si3.C21H15ClN4O/c1-29-23-37(48-28-47-19-22-51(8,9)10)33(40)25-32(29)30-15-16-31-36(24-30)44(27-46-18-21-50(5,6)7)42-38(31)39-41-34-13-11-12-14-35(34)43(39)26-45-17-20-49(2,3)4;1-11-8-19(27)15(22)10-14(11)12-6-7-13-18(9-12)25-26-20(13)21-23-16-4-2-3-5-17(16)24-21/h11-16,23-25H,17-22,26-28H2,1-10H3;2-10,27H,1H3,(H,23,24)(H,25,26)
• InChIKey: KTNICEJCPVZRAT-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 150.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1140.45
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159236369) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cc(O)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1.Cc1cc(OCOCC[Si](C)(C)C)c(Cl)cc1-c1ccc2c(-c3nc4ccccc4n3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is KTNICEJCPVZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57ClN4O4Si3.C21H15ClN4O/c1-29-23-37(48-28-47-19-22-51(8,9)10)33(40)25-32(29)30-15-16-31-36(24-30)44(27-46-18-21-50(5,6)7)42-38(31)39-41-34-13-11-12-14-35(34)43(39)26-45-17-20-49(2,3)4;1-11-8-19(27)15(22)10-14(11)12-6-7-13-18(9-12)25-26-20(13)21-23-16-4-2-3-5-17(16)24-21/h11-16,23-25H,17-22,26-28H2,1-10H3;2-10,27H,1H3,(H,23,24)(H,25,26).

What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1140.45 g/mol, XLogP of 16.44, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-2-chloro-5-methylphenol;2-[[6-[5-chloro-2-methyl-4-(2-trimethylsilylethoxymethoxy)phenyl]-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159236369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).