1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole

C10H13F3N2O — CID 118956042

IUPAC1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CCOCC1
InChIInChI=1S/C10H13F3N2O/c1-15-6-8(10(11,12)13)14-9(15)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3
InChIKeyUTKZXTWJBIJZRB-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.33
Rot. Bonds1

About 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole

1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole (PubChem CID 118956042) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole
PubChem CID118956042
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole
SMILESCn1cc(C(F)(F)F)nc1C1CCOCC1
InChIInChI=1S/C10H13F3N2O/c1-15-6-8(10(11,12)13)14-9(15)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3
InChIKeyUTKZXTWJBIJZRB-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidine
CID 90488060
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
1-Cycloheptyl-4-{[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]methyl}piperidine
CID 124047030
2-(4-Methoxytetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole
CID 90030746
4-(4-(Trifluoromethyl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)tetrahydro-2H-pyran-4-ol
CID 90066731
4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 118295232
1-Methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
CID 118303240
2-(oxan-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956079
4-[4-(Fluoromethyl)-1-methylimidazol-2-yl]-1-methylpiperidine
CID 135161803
[1-[4-Methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
CID 135265790
2-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)imidazole
CID 137469611

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole (CID 118956042) is 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole is Cn1cc(C(F)(F)F)nc1C1CCOCC1.
What is the InChIKey of 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
The InChIKey is UTKZXTWJBIJZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-15-6-8(10(11,12)13)14-9(15)7-2-4-16-5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole?
1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole has a molecular weight of 234.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(oxan-4-yl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 118956042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).