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

C14H15F3N2O — CID 117189732

IUPAC4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCc1cn(C(C)C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2O/c1-9(2)19-8-10(3)18-13(19)20-12-7-5-4-6-11(12)14(15,16)17/h4-9H,1-3H3
InChIKeyYVVHLFOLNNUSQZ-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.58
Rot. Bonds3

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

4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole (PubChem CID 117189732) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole
PubChem CID117189732
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole
SMILESCc1cn(C(C)C)c(Oc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H15F3N2O/c1-9(2)19-8-10(3)18-13(19)20-12-7-5-4-6-11(12)14(15,16)17/h4-9H,1-3H3
InChIKeyYVVHLFOLNNUSQZ-UHFFFAOYSA-N
XLogP4.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.58
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-[2-(trifluoromethyl)phenoxy]imidazole?
The IUPAC name of 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole (CID 117189732) is 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole is Cc1cn(C(C)C)c(Oc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole?
The InChIKey is YVVHLFOLNNUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)19-8-10(3)18-13(19)20-12-7-5-4-6-11(12)14(15,16)17/h4-9H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole?
4-methyl-1-propan-2-yl-2-[2-(trifluoromethyl)phenoxy]imidazole has a molecular weight of 284.28 g/mol, XLogP of 4.58, 3 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-[2-(trifluoromethyl)phenoxy]imidazole is sourced from PubChem (CID 117189732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).