2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

C21H15F3N2O3S — CID 15908407

IUPAC2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-13-19(21(22,23)24)25-20(26)15-6-4-14(5-7-15)18-3-2-12-29-18/h2-13H,1H3
InChIKeyQUEBLOYHXAZHRC-UHFFFAOYSA-N
MW432.42 g/mol
LogP5.22
Rot. Bonds4

About 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole

2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (PubChem CID 15908407) has the molecular formula C21H15F3N2O3S and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
PubChem CID15908407
Molecular FormulaC21H15F3N2O3S
Molecular Weight432.42 g/mol
Exact Mass432.08
IUPAC Name2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(-c3ccco3)cc2)cc1
InChIInChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-13-19(21(22,23)24)25-20(26)15-6-4-14(5-7-15)18-3-2-12-29-18/h2-13H,1H3
InChIKeyQUEBLOYHXAZHRC-UHFFFAOYSA-N
XLogP5.22
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole (CID 15908407) is 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(-c3ccco3)cc2)cc1.
What is the InChIKey of 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
The InChIKey is QUEBLOYHXAZHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3S/c1-30(27,28)17-10-8-16(9-11-17)26-13-19(21(22,23)24)25-20(26)15-6-4-14(5-7-15)18-3-2-12-29-18/h2-13H,1H3.
What are the key properties of 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole?
2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole has a molecular weight of 432.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 15908407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).