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

C24H19F3N2O — CID 141169658

IUPAC2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
SMILESCc1cccc(-c2ccc(OCc3ccc(-c4ncc[nH]4)cc3)cc2C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2O/c1-16-3-2-4-19(13-16)21-10-9-20(14-22(21)24(25,26)27)30-15-17-5-7-18(8-6-17)23-28-11-12-29-23/h2-14H,15H2,1H3,(H,28,29)
InChIKeyHFWUMYBJTJMNED-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.65
Rot. Bonds5

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

2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole (PubChem CID 141169658) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
PubChem CID141169658
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole
SMILESCc1cccc(-c2ccc(OCc3ccc(-c4ncc[nH]4)cc3)cc2C(F)(F)F)c1
InChIInChI=1S/C24H19F3N2O/c1-16-3-2-4-19(13-16)21-10-9-20(14-22(21)24(25,26)27)30-15-17-5-7-18(8-6-17)23-28-11-12-29-23/h2-14H,15H2,1H3,(H,28,29)
InChIKeyHFWUMYBJTJMNED-UHFFFAOYSA-N
XLogP6.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole (CID 141169658) is 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole is Cc1cccc(-c2ccc(OCc3ccc(-c4ncc[nH]4)cc3)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
The InChIKey is HFWUMYBJTJMNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-16-3-2-4-19(13-16)21-10-9-20(14-22(21)24(25,26)27)30-15-17-5-7-18(8-6-17)23-28-11-12-29-23/h2-14H,15H2,1H3,(H,28,29).
What are the key properties of 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole?
2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole has a molecular weight of 408.42 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3-methylphenyl)-3-(trifluoromethyl)phenoxy]methyl]phenyl]-1H-imidazole is sourced from PubChem (CID 141169658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).