[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol

C30H35FN2O2Si — CID 59086068

IUPAC[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol
SMILESCC(C)(C)[Si](OCCCC(c1cccc(F)c1)n1cncc1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35FN2O2Si/c1-30(2,3)36(27-14-6-4-7-15-27,28-16-8-5-9-17-28)35-19-11-18-29(24-12-10-13-25(31)20-24)33-23-32-21-26(33)22-34/h4-10,12-17,20-21,23,29,34H,11,18-19,22H2,1-3H3
InChIKeyULMGMMSKEIRBAW-UHFFFAOYSA-N
MW502.71 g/mol
LogP5.46
Rot. Bonds10

About [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol

[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol (PubChem CID 59086068) has the molecular formula C30H35FN2O2Si and a molecular weight of 502.71 g/mol. Its IUPAC name is [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol
PubChem CID59086068
Molecular FormulaC30H35FN2O2Si
Molecular Weight502.71 g/mol
Exact Mass502.25
IUPAC Name[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol
SMILESCC(C)(C)[Si](OCCCC(c1cccc(F)c1)n1cncc1CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H35FN2O2Si/c1-30(2,3)36(27-14-6-4-7-15-27,28-16-8-5-9-17-28)35-19-11-18-29(24-12-10-13-25(31)20-24)33-23-32-21-26(33)22-34/h4-10,12-17,20-21,23,29,34H,11,18-19,22H2,1-3H3
InChIKeyULMGMMSKEIRBAW-UHFFFAOYSA-N
XLogP5.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol (CID 59086068) is [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol is CC(C)(C)[Si](OCCCC(c1cccc(F)c1)n1cncc1CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol?
The InChIKey is ULMGMMSKEIRBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN2O2Si/c1-30(2,3)36(27-14-6-4-7-15-27,28-16-8-5-9-17-28)35-19-11-18-29(24-12-10-13-25(31)20-24)33-23-32-21-26(33)22-34/h4-10,12-17,20-21,23,29,34H,11,18-19,22H2,1-3H3.
What are the key properties of [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol?
[3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol has a molecular weight of 502.71 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[tert-butyl(diphenyl)silyl]oxy-1-(3-fluorophenyl)butyl]imidazol-4-yl]methanol is sourced from PubChem (CID 59086068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).