2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C35H45N7O2Si2 — CID 135718581

About 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 135718581) has the molecular formula C35H45N7O2Si2 and a molecular weight of 651.96 g/mol. Its IUPAC name is 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 135718581
• Molecular Formula: C35H45N7O2Si2
• Molecular Weight: 651.96 g/mol
• Exact Mass: 651.32
• IUPAC Name: 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1c(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cncc1-c1cn(COCC[Si](C)(C)C)cn1
• InChI: InChI=1S/C35H45N7O2Si2/c1-25-28(19-36-20-29(25)32-21-41(22-37-32)23-43-14-16-45(2,3)4)26-12-13-33-27(18-26)34(35-38-30-10-8-9-11-31(30)39-35)40-42(33)24-44-15-17-46(5,6)7/h8-13,18-22H,14-17,23-24H2,1-7H3,(H,38,39)
• InChIKey: UMQHDJHLYMTBQQ-UHFFFAOYSA-N
• XLogP: 8.44
• TPSA: 95.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.96
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 135718581) is 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1c(-c2ccc3c(c2)c(-c2nc4ccccc4[nH]2)nn3COCC[Si](C)(C)C)cncc1-c1cn(COCC[Si](C)(C)C)cn1.

What is the InChIKey of 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is UMQHDJHLYMTBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N7O2Si2/c1-25-28(19-36-20-29(25)32-21-41(22-37-32)23-43-14-16-45(2,3)4)26-12-13-33-27(18-26)34(35-38-30-10-8-9-11-31(30)39-35)40-42(33)24-44-15-17-46(5,6)7/h8-13,18-22H,14-17,23-24H2,1-7H3,(H,38,39).

What are the key properties of 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 651.96 g/mol, XLogP of 8.44, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(1H-benzimidazol-2-yl)-5-[4-methyl-5-[1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3-pyridinyl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135718581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).