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

C18H15F3N2O — CID 53243372

IUPAC2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)n2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-16(12-3-7-14(8-4-12)18(19,20)21)11-22-17(23)13-5-9-15(24-2)10-6-13/h3-11H,1-2H3
InChIKeyIBMZNCSLDYVLDX-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.78
Rot. Bonds3

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

2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole (PubChem CID 53243372) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
PubChem CID53243372
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
SMILESCOc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)n2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-16(12-3-7-14(8-4-12)18(19,20)21)11-22-17(23)13-5-9-15(24-2)10-6-13/h3-11H,1-2H3
InChIKeyIBMZNCSLDYVLDX-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18569191
1-methyl-2,5-bis(4-methylphenyl)imidazole
CID 138756997
methyl 3-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 44818303
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
5-(chloromethyl)-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole;hydrochloride
CID 44818483
5-(4-methoxyphenyl)-1-methylimidazole-2-carbaldehyde
CID 84681714
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 19430211

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole (CID 53243372) is 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole is COc1ccc(-c2ncc(-c3ccc(C(F)(F)F)cc3)n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole?
The InChIKey is IBMZNCSLDYVLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-23-16(12-3-7-14(8-4-12)18(19,20)21)11-22-17(23)13-5-9-15(24-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole?
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole has a molecular weight of 332.33 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole is sourced from PubChem (CID 53243372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).