[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate

C12H15F3N2O3 — CID 139383424

IUPAC[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
SMILESCOCC1(COC(=O)c2nc[nH]c2C(F)(F)F)CCC1
InChIInChI=1S/C12H15F3N2O3/c1-19-5-11(3-2-4-11)6-20-10(18)8-9(12(13,14)15)17-7-16-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyXUQRNHDAOQIYAB-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.40
Rot. Bonds5

About [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate

[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate (PubChem CID 139383424) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
PubChem CID139383424
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate
SMILESCOCC1(COC(=O)c2nc[nH]c2C(F)(F)F)CCC1
InChIInChI=1S/C12H15F3N2O3/c1-19-5-11(3-2-4-11)6-20-10(18)8-9(12(13,14)15)17-7-16-8/h7H,2-6H2,1H3,(H,16,17)
InChIKeyXUQRNHDAOQIYAB-UHFFFAOYSA-N
XLogP2.40
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate 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-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate (CID 139383424) is [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is COCC1(COC(=O)c2nc[nH]c2C(F)(F)F)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
The InChIKey is XUQRNHDAOQIYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-5-11(3-2-4-11)6-20-10(18)8-9(12(13,14)15)17-7-16-8/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate?
[1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate has a molecular weight of 292.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]methyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate is sourced from PubChem (CID 139383424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).