1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone

C25H30F2N2O3Si — CID 89262197

IUPAC1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOCn1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-18-29-16-19(28-24(29)22(30)23(26)27)17-32-33(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,23H,5,17-18H2,1-4H3
InChIKeyXETVVIGXPPAHGV-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.40
Rot. Bonds10

About 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone

1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone (PubChem CID 89262197) has the molecular formula C25H30F2N2O3Si and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
PubChem CID89262197
Molecular FormulaC25H30F2N2O3Si
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOCn1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-18-29-16-19(28-24(29)22(30)23(26)27)17-32-33(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,23H,5,17-18H2,1-4H3
InChIKeyXETVVIGXPPAHGV-UHFFFAOYSA-N
XLogP4.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone 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 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone (CID 89262197) is 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone is CCOCn1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F.
What is the InChIKey of 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The InChIKey is XETVVIGXPPAHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O3Si/c1-5-31-18-29-16-19(28-24(29)22(30)23(26)27)17-32-33(25(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-16,23H,5,17-18H2,1-4H3.
What are the key properties of 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone has a molecular weight of 472.61 g/mol, XLogP of 4.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone is sourced from PubChem (CID 89262197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).