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

C25H18F6N2O2 — CID 88881339

IUPAC5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C25H18F6N2O2/c1-34-22-12-19(35-14-15-2-6-17(7-3-15)24(26,27)28)10-11-20(22)21-13-32-23(33-21)16-4-8-18(9-5-16)25(29,30)31/h2-13H,14H2,1H3,(H,32,33)
InChIKeyAOWHTTSRDDIUNX-UHFFFAOYSA-N
MW492.42 g/mol
LogP7.37
Rot. Bonds6

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

5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (PubChem CID 88881339) has the molecular formula C25H18F6N2O2 and a molecular weight of 492.42 g/mol. Its IUPAC name is 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
PubChem CID88881339
Molecular FormulaC25H18F6N2O2
Molecular Weight492.42 g/mol
Exact Mass492.13
IUPAC Name5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1
InChIInChI=1S/C25H18F6N2O2/c1-34-22-12-19(35-14-15-2-6-17(7-3-15)24(26,27)28)10-11-20(22)21-13-32-23(33-21)16-4-8-18(9-5-16)25(29,30)31/h2-13H,14H2,1H3,(H,32,33)
InChIKeyAOWHTTSRDDIUNX-UHFFFAOYSA-N
XLogP7.37
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.42
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The IUPAC name of 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole (CID 88881339) is 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is COc1cc(OCc2ccc(C(F)(F)F)cc2)ccc1-c1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1.
What is the InChIKey of 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
The InChIKey is AOWHTTSRDDIUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N2O2/c1-34-22-12-19(35-14-15-2-6-17(7-3-15)24(26,27)28)10-11-20(22)21-13-32-23(33-21)16-4-8-18(9-5-16)25(29,30)31/h2-13H,14H2,1H3,(H,32,33).
What are the key properties of 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole?
5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole has a molecular weight of 492.42 g/mol, XLogP of 7.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole is sourced from PubChem (CID 88881339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).