2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole

C14H14F4N2O — CID 170707221

IUPAC2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESCCc1cc(F)c(-c2nc(C(F)(F)F)cn2C)c(OC)c1
InChIInChI=1S/C14H14F4N2O/c1-4-8-5-9(15)12(10(6-8)21-3)13-19-11(7-20(13)2)14(16,17)18/h5-7H,4H2,1-3H3
InChIKeyRLULYVKVGGNDAO-UHFFFAOYSA-N
MW302.27 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole

2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole (PubChem CID 170707221) has the molecular formula C14H14F4N2O and a molecular weight of 302.27 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
PubChem CID170707221
Molecular FormulaC14H14F4N2O
Molecular Weight302.27 g/mol
Exact Mass302.10
IUPAC Name2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole
SMILESCCc1cc(F)c(-c2nc(C(F)(F)F)cn2C)c(OC)c1
InChIInChI=1S/C14H14F4N2O/c1-4-8-5-9(15)12(10(6-8)21-3)13-19-11(7-20(13)2)14(16,17)18/h5-7H,4H2,1-3H3
InChIKeyRLULYVKVGGNDAO-UHFFFAOYSA-N
XLogP3.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.27
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole (CID 170707221) is 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole is CCc1cc(F)c(-c2nc(C(F)(F)F)cn2C)c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
The InChIKey is RLULYVKVGGNDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O/c1-4-8-5-9(15)12(10(6-8)21-3)13-19-11(7-20(13)2)14(16,17)18/h5-7H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole?
2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole has a molecular weight of 302.27 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluoro-6-methoxyphenyl)-1-methyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 170707221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).