2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde

C17H13ClN2O3S — CID 11792902

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-n2cc(C=O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-10-14(11-21)19-17(20)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyPNEJWVNVMKDFOI-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde (PubChem CID 11792902) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde
PubChem CID11792902
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde
SMILESCS(=O)(=O)c1ccc(-n2cc(C=O)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-10-14(11-21)19-17(20)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyPNEJWVNVMKDFOI-UHFFFAOYSA-N
XLogP3.41
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.41
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 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde (CID 11792902) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde is CS(=O)(=O)c1ccc(-n2cc(C=O)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde?
The InChIKey is PNEJWVNVMKDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-24(22,23)16-8-6-15(7-9-16)20-10-14(11-21)19-17(20)12-2-4-13(18)5-3-12/h2-11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde has a molecular weight of 360.82 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 11792902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).