1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone

C25H30F2N2O3Si — CID 173491687

IUPAC1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOCn1cc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23,33H,5,17H2,1-4H3
InChIKeyDWZNIGLFCBEBDT-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.97
Rot. Bonds10

About 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone

1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone (PubChem CID 173491687) has the molecular formula C25H30F2N2O3Si and a molecular weight of 472.61 g/mol. Its IUPAC name is 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
PubChem CID173491687
Molecular FormulaC25H30F2N2O3Si
Molecular Weight472.61 g/mol
Exact Mass472.20
IUPAC Name1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone
SMILESCCOCn1cc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F
InChIInChI=1S/C25H30F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23,33H,5,17H2,1-4H3
InChIKeyDWZNIGLFCBEBDT-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone (CID 173491687) is 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone is CCOCn1cc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)nc1C(=O)C(F)F.
What is the InChIKey of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
The InChIKey is DWZNIGLFCBEBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O3Si/c1-5-31-17-29-16-20(28-24(29)21(30)23(26)27)22(25(2,3)4)32-33(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-16,22-23,33H,5,17H2,1-4H3.
What are the key properties of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone?
1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone has a molecular weight of 472.61 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(ethoxymethyl)imidazol-2-yl]-2,2-difluoroethanone is sourced from PubChem (CID 173491687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).