4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole

C14H15F3N2O — CID 156675361

IUPAC4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole
SMILESCCc1ccc(-c2cn(C)c(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C14H15F3N2O/c1-4-9-5-6-10(12(7-9)20-3)11-8-19(2)13(18-11)14(15,16)17/h5-8H,4H2,1-3H3
InChIKeyLPBGLZPSAHLMNV-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.68
Rot. Bonds3

About 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole

4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole (PubChem CID 156675361) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole
PubChem CID156675361
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole
SMILESCCc1ccc(-c2cn(C)c(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C14H15F3N2O/c1-4-9-5-6-10(12(7-9)20-3)11-8-19(2)13(18-11)14(15,16)17/h5-8H,4H2,1-3H3
InChIKeyLPBGLZPSAHLMNV-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole?
The IUPAC name of 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole (CID 156675361) is 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole?
The canonical SMILES for 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole is CCc1ccc(-c2cn(C)c(C(F)(F)F)n2)c(OC)c1.
What is the InChIKey of 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole?
The InChIKey is LPBGLZPSAHLMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-4-9-5-6-10(12(7-9)20-3)11-8-19(2)13(18-11)14(15,16)17/h5-8H,4H2,1-3H3.
What are the key properties of 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole?
4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole has a molecular weight of 284.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methoxyphenyl)-1-methyl-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 156675361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).