[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol

C40H60N4O6Si3 — CID 22486258

About [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol

[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol (PubChem CID 22486258) has the molecular formula C40H60N4O6Si3 and a molecular weight of 777.20 g/mol. Its IUPAC name is [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol
• PubChem CID: 22486258
• Molecular Formula: C40H60N4O6Si3
• Molecular Weight: 777.20 g/mol
• Exact Mass: 776.38
• IUPAC Name: [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol
• SMILES: COc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1
• InChI: InChI=1S/C40H60N4O6Si3/c1-46-31-24-33(34(26-45)38(25-31)50-29-49-19-22-53(8,9)10)30-15-16-32-37(23-30)44(28-48-18-21-52(5,6)7)42-39(32)40-41-35-13-11-12-14-36(35)43(40)27-47-17-20-51(2,3)4/h11-16,23-25,45H,17-22,26-29H2,1-10H3
• InChIKey: JXPWPLXJHOSTAX-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 102.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.20
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?

The IUPAC name of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol (CID 22486258) is [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol.

What is the SMILES notation for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?

The canonical SMILES for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol is COc1cc(OCOCC[Si](C)(C)C)c(CO)c(-c2ccc3c(-c4nc5ccccc5n4COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c3c2)c1.

What is the InChIKey of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?

The InChIKey is JXPWPLXJHOSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H60N4O6Si3/c1-46-31-24-33(34(26-45)38(25-31)50-29-49-19-22-53(8,9)10)30-15-16-32-37(23-30)44(28-48-18-21-52(5,6)7)42-39(32)40-41-35-13-11-12-14-36(35)43(40)27-47-17-20-51(2,3)4/h11-16,23-25,45H,17-22,26-29H2,1-10H3.

What are the key properties of [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol?

[4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol has a molecular weight of 777.20 g/mol, XLogP of 9.54, 20 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-methoxy-2-(2-trimethylsilylethoxymethoxy)-6-[1-(2-trimethylsilylethoxymethyl)-3-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]indazol-6-yl]phenyl]methanol is sourced from PubChem (CID 22486258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).