2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole

C18H9F9N2O — CID 175089422

IUPAC2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1ccc(Oc2cnc(C(F)(F)F)n2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H9F9N2O/c19-16(20,21)10-1-5-12(6-2-10)29-14(9-28-15(29)18(25,26)27)30-13-7-3-11(4-8-13)17(22,23)24/h1-9H
InChIKeyBPQRTJDZUHEHCA-UHFFFAOYSA-N
MW440.27 g/mol
LogP6.72
Rot. Bonds3

About 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole

2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 175089422) has the molecular formula C18H9F9N2O and a molecular weight of 440.27 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID175089422
Molecular FormulaC18H9F9N2O
Molecular Weight440.27 g/mol
Exact Mass440.06
IUPAC Name2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole
SMILESFC(F)(F)c1ccc(Oc2cnc(C(F)(F)F)n2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H9F9N2O/c19-16(20,21)10-1-5-12(6-2-10)29-14(9-28-15(29)18(25,26)27)30-13-7-3-11(4-8-13)17(22,23)24/h1-9H
InChIKeyBPQRTJDZUHEHCA-UHFFFAOYSA-N
XLogP6.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.27
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolidine
CID 168512748
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
1-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrrolo[2,3-c]pyridine
CID 70650289
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 24605030
4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-amine
CID 79917598
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80862607

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole (CID 175089422) is 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole is FC(F)(F)c1ccc(Oc2cnc(C(F)(F)F)n2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is BPQRTJDZUHEHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F9N2O/c19-16(20,21)10-1-5-12(6-2-10)29-14(9-28-15(29)18(25,26)27)30-13-7-3-11(4-8-13)17(22,23)24/h1-9H.
What are the key properties of 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole?
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 440.27 g/mol, XLogP of 6.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 175089422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).