4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole

C17H15F3N2OS — CID 18463598

IUPAC4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cc(C)cs2)cc1C
InChIInChI=1S/C17H15F3N2OS/c1-9-6-13(24-8-9)15-14(21-16(22-15)17(18,19)20)11-4-5-12(23-3)10(2)7-11/h4-8H,1-3H3,(H,21,22)
InChIKeyIFOKQQUUWDFNSF-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.45
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole

4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 18463598) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID18463598
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cc(C)cs2)cc1C
InChIInChI=1S/C17H15F3N2OS/c1-9-6-13(24-8-9)15-14(21-16(22-15)17(18,19)20)11-4-5-12(23-3)10(2)7-11/h4-8H,1-3H3,(H,21,22)
InChIKeyIFOKQQUUWDFNSF-UHFFFAOYSA-N
XLogP5.45
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole (CID 18463598) is 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole is COc1ccc(-c2nc(C(F)(F)F)[nH]c2-c2cc(C)cs2)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is IFOKQQUUWDFNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c1-9-6-13(24-8-9)15-14(21-16(22-15)17(18,19)20)11-4-5-12(23-3)10(2)7-11/h4-8H,1-3H3,(H,21,22).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole?
4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 352.38 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-5-(4-methylthiophen-2-yl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 18463598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).