2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C33H44N4O4Si2 — CID 135718578

About 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718578) has the molecular formula C33H44N4O4Si2 and a molecular weight of 616.91 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 135718578
• Molecular Formula: C33H44N4O4Si2
• Molecular Weight: 616.91 g/mol
• Exact Mass: 616.29
• IUPAC Name: 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1c(OCOCC[Si](C)(C)C)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C
• InChI: InChI=1S/C33H44N4O4Si2/c1-38-32-25(11-10-14-30(32)41-23-40-18-20-43(5,6)7)24-15-16-29-26(21-24)31(33-34-27-12-8-9-13-28(27)35-33)36-37(29)22-39-17-19-42(2,3)4/h8-16,21H,17-20,22-23H2,1-7H3,(H,34,35)
• InChIKey: BBGSINJPAXDLPZ-UHFFFAOYSA-N
• XLogP: 8.26
• TPSA: 83.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.91
LogP ≤ 5	8.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718578) is 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is COc1c(OCOCC[Si](C)(C)C)cccc1-c1ccc2c(c1)c(-c1nc3ccccc3[nH]1)nn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is BBGSINJPAXDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O4Si2/c1-38-32-25(11-10-14-30(32)41-23-40-18-20-43(5,6)7)24-15-16-29-26(21-24)31(33-34-27-12-8-9-13-28(27)35-33)36-37(29)22-39-17-19-42(2,3)4/h8-16,21H,17-20,22-23H2,1-7H3,(H,34,35).

What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 616.91 g/mol, XLogP of 8.26, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(1H-benzimidazol-2-yl)-5-[2-methoxy-3-(2-trimethylsilylethoxymethoxy)phenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).