1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde

C17H13FN2O3S — CID 10904046

IUPAC1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-c2cnc(C=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O3S/c1-24(22,23)15-8-2-12(3-9-15)16-10-19-17(11-21)20(16)14-6-4-13(18)5-7-14/h2-11H,1H3
InChIKeyQIXWPIPIFUVSGU-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde

1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde (PubChem CID 10904046) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde
PubChem CID10904046
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Name1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-c2cnc(C=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13FN2O3S/c1-24(22,23)15-8-2-12(3-9-15)16-10-19-17(11-21)20(16)14-6-4-13(18)5-7-14/h2-11H,1H3
InChIKeyQIXWPIPIFUVSGU-UHFFFAOYSA-N
XLogP2.89
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde (CID 10904046) is 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde is CS(=O)(=O)c1ccc(-c2cnc(C=O)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde?
The InChIKey is QIXWPIPIFUVSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c1-24(22,23)15-8-2-12(3-9-15)16-10-19-17(11-21)20(16)14-6-4-13(18)5-7-14/h2-11H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde?
1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde has a molecular weight of 344.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 10904046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).