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

C12H17F3N2O — CID 172585982

IUPAC1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(F)(F)F)cn1C1CCOCC1
InChIInChI=1S/C12H17F3N2O/c1-8(2)11-16-10(12(13,14)15)7-17(11)9-3-5-18-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyBLTXIUQMYVVCQD-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.38
Rot. Bonds2

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

1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (PubChem CID 172585982) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
PubChem CID172585982
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole
SMILESCC(C)c1nc(C(F)(F)F)cn1C1CCOCC1
InChIInChI=1S/C12H17F3N2O/c1-8(2)11-16-10(12(13,14)15)7-17(11)9-3-5-18-6-4-9/h7-9H,3-6H2,1-2H3
InChIKeyBLTXIUQMYVVCQD-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole 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-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole (CID 172585982) is 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is CC(C)c1nc(C(F)(F)F)cn1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
The InChIKey is BLTXIUQMYVVCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(2)11-16-10(12(13,14)15)7-17(11)9-3-5-18-6-4-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole?
1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole has a molecular weight of 262.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-propan-2-yl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 172585982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).