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

C35H50N4O4Si — CID 174210720

IUPACtert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane
SMILESCC(CCOCCCn1cnc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1
InChIInChI=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
InChIKeyQXOBPHXHRXPRCP-UHFFFAOYSA-N
MW618.90 g/mol
LogP8.39
Rot. Bonds14

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 Nametert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane
PubChem CID174210720
Molecular FormulaC35H50N4O4Si
Molecular Weight618.90 g/mol
Exact Mass618.36
IUPAC Nametert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[3-(3-phenylmethoxybutoxy)propyl]imidazol-4-yl]indazol-5-yl]oxysilane
SMILESCC(CCOCCCn1cnc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)c1)OCc1ccccc1
InChIInChI=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
InChIKeyQXOBPHXHRXPRCP-UHFFFAOYSA-N
XLogP8.39
TPSA72.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.90
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane
CID 165127080
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[6-[2-(3-phenylmethoxybutoxy)ethoxy]pyrazin-2-yl]indazol-5-yl]oxysilane
CID 174210407
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[6-[(2R)-1-[(3R)-3-phenylmethoxybutoxy]propan-2-yl]oxy-2-pyridinyl]indazol-5-yl]oxysilane
CID 165127072
tert-butyl-dimethyl-[3-[1-methyl-2-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]imidazol-4-yl]-1-(oxan-2-yl)indazol-5-yl]oxysilane
CID 174202608
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[3-[3-[(3S)-3-phenylmethoxybutoxy]propyl]-1,2,4-triazol-1-yl]indazol-5-yl]oxysilane
CID 165127450
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]-3-pyridinyl]indazol-5-yl]oxysilane
CID 174203597
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[2-[2-(2-phenylmethoxyethoxy)ethoxy]propyl]pyrazol-4-yl]indazol-5-yl]oxysilane
CID 174203772
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[1-[4-(3-phenylmethoxypropoxy)butyl]pyrazol-4-yl]indazol-5-yl]oxysilane
CID 165127295
tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[5-[2-[2-(2-phenylmethoxypropoxy)ethoxy]ethyl]-3-pyridinyl]indazol-5-yl]oxysilane
CID 174203451
(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]triazol-2-yl]propoxy]butan-2-ol
CID 165127885
(2R)-4-[3-[4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]pyrazol-1-yl]propoxy]butan-2-ol
CID 165126955
4-[5-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yl)indazol-3-yl]-1-[2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]ethyl]pyrrole-2-carbonitrile
CID 174203513

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).