1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone

C25H30F2N2O3Si — CID 89262198

IUPAC1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cnc(C(=O)C(F)F)[nH]1
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-21(20-16-28-24(29-20)22(30)23(26)27)17-32-33(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,21,23H,5,17H2,1-4H3,(H,28,29)
InChIKeyPMYMWERLFOKQSR-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.51
Rot. Bonds10

About 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone

1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone (PubChem CID 89262198) has the molecular formula C25H30F2N2O3Si and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone
PubChem CID89262198
Molecular FormulaC25H30F2N2O3Si
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cnc(C(=O)C(F)F)[nH]1
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-21(20-16-28-24(29-20)22(30)23(26)27)17-32-33(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,21,23H,5,17H2,1-4H3,(H,28,29)
InChIKeyPMYMWERLFOKQSR-UHFFFAOYSA-N
XLogP4.51
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone (CID 89262198) is 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone is CCOC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cnc(C(=O)C(F)F)[nH]1.
What is the InChIKey of 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone?
The InChIKey is PMYMWERLFOKQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O3Si/c1-5-31-21(20-16-28-24(29-20)22(30)23(26)27)17-32-33(25(2,3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,21,23H,5,17H2,1-4H3,(H,28,29).
What are the key properties of 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone?
1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone has a molecular weight of 472.61 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[tert-butyl(diphenyl)silyl]oxy-1-ethoxyethyl]-1H-imidazol-2-yl]-2,2-difluoroethanone is sourced from PubChem (CID 89262198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).