4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

C15H17F3N2O — CID 117187667

IUPAC4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESCc1cn(C(C)C)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H17F3N2O/c1-10(2)20-8-11(3)19-14(20)9-21-13-6-4-5-12(7-13)15(16,17)18/h4-8,10H,9H2,1-3H3
InChIKeyYKWHRXIGNORCSG-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.37
Rot. Bonds4

About 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole

4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (PubChem CID 117187667) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
PubChem CID117187667
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
SMILESCc1cn(C(C)C)c(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H17F3N2O/c1-10(2)20-8-11(3)19-14(20)9-21-13-6-4-5-12(7-13)15(16,17)18/h4-8,10H,9H2,1-3H3
InChIKeyYKWHRXIGNORCSG-UHFFFAOYSA-N
XLogP4.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The IUPAC name of 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole (CID 117187667) is 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is Cc1cn(C(C)C)c(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
The InChIKey is YKWHRXIGNORCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-10(2)20-8-11(3)19-14(20)9-21-13-6-4-5-12(7-13)15(16,17)18/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole?
4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole has a molecular weight of 298.31 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole is sourced from PubChem (CID 117187667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).