[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol

C17H15ClN2O3S — CID 10832510

IUPAC[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/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/h2-10,21H,11H2,1H3
InChIKeyJRNOAFQGPBZGLC-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.09
Rot. Bonds4

About [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol

[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol (PubChem CID 10832510) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol
PubChem CID10832510
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClN2O3S/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/h2-10,21H,11H2,1H3
InChIKeyJRNOAFQGPBZGLC-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol (CID 10832510) is [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol is CS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol?
The InChIKey is JRNOAFQGPBZGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/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/h2-10,21H,11H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol?
[2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol has a molecular weight of 362.84 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 10832510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).