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

C23H19ClN2O3S — CID 22998190

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(COc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-30(27,28)22-13-11-20(12-14-22)26-15-19(16-29-21-5-3-2-4-6-21)25-23(26)17-7-9-18(24)10-8-17/h2-15H,16H2,1H3
InChIKeyALYPZTRPVYFVKN-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.18
Rot. Bonds6

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

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole (PubChem CID 22998190) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
PubChem CID22998190
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
SMILESCS(=O)(=O)c1ccc(-n2cc(COc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-30(27,28)22-13-11-20(12-14-22)26-15-19(16-29-21-5-3-2-4-6-21)25-23(26)17-7-9-18(24)10-8-17/h2-15H,16H2,1H3
InChIKeyALYPZTRPVYFVKN-UHFFFAOYSA-N
XLogP5.18
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole (CID 22998190) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole is CS(=O)(=O)c1ccc(-n2cc(COc3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole?
The InChIKey is ALYPZTRPVYFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-30(27,28)22-13-11-20(12-14-22)26-15-19(16-29-21-5-3-2-4-6-21)25-23(26)17-7-9-18(24)10-8-17/h2-15H,16H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole has a molecular weight of 438.94 g/mol, XLogP of 5.18, 6 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)-4-(phenoxymethyl)imidazole is sourced from PubChem (CID 22998190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).