2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole

C17H12ClF3N2O — CID 155146134

IUPAC2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(OCc2cccc(-c3ncc[nH]3)c2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N2O/c18-14-9-13(17(19,20)21)4-5-15(14)24-10-11-2-1-3-12(8-11)16-22-6-7-23-16/h1-9H,10H2,(H,22,23)
InChIKeyHDFNFFVOJPPLHD-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.33
Rot. Bonds4

About 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole

2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole (PubChem CID 155146134) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
PubChem CID155146134
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(OCc2cccc(-c3ncc[nH]3)c2)c(Cl)c1
InChIInChI=1S/C17H12ClF3N2O/c18-14-9-13(17(19,20)21)4-5-15(14)24-10-11-2-1-3-12(8-11)16-22-6-7-23-16/h1-9H,10H2,(H,22,23)
InChIKeyHDFNFFVOJPPLHD-UHFFFAOYSA-N
XLogP5.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole (CID 155146134) is 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole is FC(F)(F)c1ccc(OCc2cccc(-c3ncc[nH]3)c2)c(Cl)c1.
What is the InChIKey of 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The InChIKey is HDFNFFVOJPPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-14-9-13(17(19,20)21)4-5-15(14)24-10-11-2-1-3-12(8-11)16-22-6-7-23-16/h1-9H,10H2,(H,22,23).
What are the key properties of 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole has a molecular weight of 352.74 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole is sourced from PubChem (CID 155146134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).