1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone

C24H29FN2O2Si — CID 173491700

IUPAC1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cn1CCF
InChIInChI=1S/C24H29FN2O2Si/c1-18(28)23-26-21(17-27(23)16-15-25)22(24(2,3)4)29-30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,22,30H,15-16H2,1-4H3
InChIKeyRTTYBMGCHQMCHE-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.70
Rot. Bonds8

About 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone

1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone (PubChem CID 173491700) has the molecular formula C24H29FN2O2Si and a molecular weight of 424.59 g/mol. Its IUPAC name is 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone
PubChem CID173491700
Molecular FormulaC24H29FN2O2Si
Molecular Weight424.59 g/mol
Exact Mass424.20
IUPAC Name1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone
SMILESCC(=O)c1nc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cn1CCF
InChIInChI=1S/C24H29FN2O2Si/c1-18(28)23-26-21(17-27(23)16-15-25)22(24(2,3)4)29-30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,22,30H,15-16H2,1-4H3
InChIKeyRTTYBMGCHQMCHE-UHFFFAOYSA-N
XLogP3.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-fluoroethyl)imidazol-2-yl]ethanone?
The IUPAC name of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone (CID 173491700) is 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone is CC(=O)c1nc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)cn1CCF.
What is the InChIKey of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone?
The InChIKey is RTTYBMGCHQMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2Si/c1-18(28)23-26-21(17-27(23)16-15-25)22(24(2,3)4)29-30(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17,22,30H,15-16H2,1-4H3.
What are the key properties of 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone?
1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone has a molecular weight of 424.59 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-diphenylsilyloxy-2,2-dimethylpropyl)-1-(2-fluoroethyl)imidazol-2-yl]ethanone is sourced from PubChem (CID 173491700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).