4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

C11H17F3N2O2Si — CID 22018765

IUPAC4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C=O
InChIInChI=1S/C11H17F3N2O2Si/c1-19(2,3)5-4-18-8-16-6-9(11(12,13)14)15-10(16)7-17/h6-7H,4-5,8H2,1-3H3
InChIKeyMZMRSYVQBXLQRN-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.03
Rot. Bonds6

About 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde

4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (PubChem CID 22018765) has the molecular formula C11H17F3N2O2Si and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
PubChem CID22018765
Molecular FormulaC11H17F3N2O2Si
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C=O
InChIInChI=1S/C11H17F3N2O2Si/c1-19(2,3)5-4-18-8-16-6-9(11(12,13)14)15-10(16)7-17/h6-7H,4-5,8H2,1-3H3
InChIKeyMZMRSYVQBXLQRN-UHFFFAOYSA-N
XLogP3.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde 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 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde (CID 22018765) is 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is C[Si](C)(C)CCOCn1cc(C(F)(F)F)nc1C=O.
What is the InChIKey of 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
The InChIKey is MZMRSYVQBXLQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2Si/c1-19(2,3)5-4-18-8-16-6-9(11(12,13)14)15-10(16)7-17/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde?
4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde has a molecular weight of 294.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 22018765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).