4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole

C18H15F3N2O — CID 6539911

IUPAC4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C18H15F3N2O/c1-24-16-8-4-14(5-9-16)17-11-23(12-22-17)10-13-2-6-15(7-3-13)18(19,20)21/h2-9,11-12H,10H2,1H3
InChIKeyMOLDPFWVNBGONI-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.63
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole

4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole (PubChem CID 6539911) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole
PubChem CID6539911
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole
SMILESCOc1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)cn2)cc1
InChIInChI=1S/C18H15F3N2O/c1-24-16-8-4-14(5-9-16)17-11-23(12-22-17)10-13-2-6-15(7-3-13)18(19,20)21/h2-9,11-12H,10H2,1H3
InChIKeyMOLDPFWVNBGONI-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole (CID 6539911) is 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole is COc1ccc(-c2cn(Cc3ccc(C(F)(F)F)cc3)cn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole?
The InChIKey is MOLDPFWVNBGONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-24-16-8-4-14(5-9-16)17-11-23(12-22-17)10-13-2-6-15(7-3-13)18(19,20)21/h2-9,11-12H,10H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole?
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole has a molecular weight of 332.33 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole is sourced from PubChem (CID 6539911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).