5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole

C23H19FN2O3S — CID 18463608

IUPAC5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(COc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-30(27,28)20-13-9-17(10-14-20)23-22(16-7-11-18(24)12-8-16)25-21(26-23)15-29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,25,26)
InChIKeyXBYYJHSYQQFFGV-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.87
Rot. Bonds6

About 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole

5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole (PubChem CID 18463608) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
PubChem CID18463608
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2nc(COc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H19FN2O3S/c1-30(27,28)20-13-9-17(10-14-20)23-22(16-7-11-18(24)12-8-16)25-21(26-23)15-29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,25,26)
InChIKeyXBYYJHSYQQFFGV-UHFFFAOYSA-N
XLogP4.87
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole?
The IUPAC name of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole (CID 18463608) is 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2nc(COc3ccccc3)[nH]c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole?
The InChIKey is XBYYJHSYQQFFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-30(27,28)20-13-9-17(10-14-20)23-22(16-7-11-18(24)12-8-16)25-21(26-23)15-29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole?
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole has a molecular weight of 422.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-1H-imidazole is sourced from PubChem (CID 18463608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).