Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane

C₃₅H₅₀N₄O₄Si — CID 174210720

About Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane

Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane (PubChem CID 174210720) has the molecular formula C₃₅H₅₀N₄O₄Si and a molecular weight of 618.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane.

Molecular Properties

• Compound Name: Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane
• PubChem CID: 174210720
• Molecular Formula: C₃₅H₅₀N₄O₄Si
• Molecular Weight: 618.90 g/mol
• Exact Mass: 618.36
• IUPAC Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane
• SMILES: CC(CCOCCCn1cnc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1
• InChI: InChI=1S/C35H50N4O4Si/c1-27(42-25-28-13-8-7-9-14-28)18-22-40-20-12-19-38-24-31(36-26-38)34-30-23-29(43-44(5,6)35(2,3)4)16-17-32(30)39(37-34)33-15-10-11-21-41-33/h7-9,13-14,16-17,23-24,26-27,33H,10-12,15,18-22,25H2,1-6H3
• InChIKey: QXOBPHXHRXPRCP-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.90
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
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 Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane?

The IUPAC name of Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane (CID 174210720) is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane.

What is the SMILES notation for Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane?

The canonical SMILES for Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane is CC(CCOCCCn1cnc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1.

What is the InChIKey of Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane?

The InChIKey is QXOBPHXHRXPRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N4O4Si/c1-27(42-25-28-13-8-7-9-14-28)18-22-40-20-12-19-38-24-31(36-26-38)34-30-23-29(43-44(5,6)35(2,3)4)16-17-32(30)39(37-34)33-15-10-11-21-41-33/h7-9,13-14,16-17,23-24,26-27,33H,10-12,15,18-22,25H2,1-6H3.

What are the key properties of Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane?

Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane has a molecular weight of 618.90 g/mol, XLogP of 8.39, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane is sourced from PubChem (CID 174210720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174210720 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.