tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane

C30H33FN2OSi — CID 102158607

IUPACtert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane
SMILESC=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C30H33FN2OSi/c1-5-12-26(33-21-29(32-23-33)24-17-19-25(31)20-18-24)22-34-35(30(2,3)4,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h5-11,13-21,23,26H,1,12,22H2,2-4H3/t26-/m0/s1
InChIKeyMVYNWWDRYVRJMU-SANMLTNESA-N
MW484.69 g/mol
LogP6.38
Rot. Bonds9

About tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane

tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane (PubChem CID 102158607) has the molecular formula C30H33FN2OSi and a molecular weight of 484.69 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane
PubChem CID102158607
Molecular FormulaC30H33FN2OSi
Molecular Weight484.69 g/mol
Exact Mass484.23
IUPAC Nametert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane
SMILESC=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C30H33FN2OSi/c1-5-12-26(33-21-29(32-23-33)24-17-19-25(31)20-18-24)22-34-35(30(2,3)4,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h5-11,13-21,23,26H,1,12,22H2,2-4H3/t26-/m0/s1
InChIKeyMVYNWWDRYVRJMU-SANMLTNESA-N
XLogP6.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.69
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol;(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-en-1-ol
CID 160880353
tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
CID 23370183
(2R,3S,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyloct-7-ene-3,5-diol
CID 11133705
(4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-methylhept-1-en-4-ol
CID 132510490
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480
tert-butyl-[(2R,3S)-2-ethenoxy-3-methylpent-4-enoxy]-diphenylsilane
CID 11749339
tert-butyl-diphenyl-[(1-propan-2-ylimidazol-4-yl)methoxy]silane
CID 71087288
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane (CID 102158607) is tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane is C=CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cnc(-c2ccc(F)cc2)c1.
What is the InChIKey of tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane?
The InChIKey is MVYNWWDRYVRJMU-SANMLTNESA-N. The full InChI is InChI=1S/C30H33FN2OSi/c1-5-12-26(33-21-29(32-23-33)24-17-19-25(31)20-18-24)22-34-35(30(2,3)4,27-13-8-6-9-14-27)28-15-10-7-11-16-28/h5-11,13-21,23,26H,1,12,22H2,2-4H3/t26-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane?
tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane has a molecular weight of 484.69 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[4-(4-fluorophenyl)imidazol-1-yl]pent-4-enoxy]-diphenylsilane is sourced from PubChem (CID 102158607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).