5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol

C23H20Cl2N2O4S — CID 22997878

IUPAC5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(COc3ccc(Cl)cc3)CN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20Cl2N2O4S/c1-32(29,30)21-12-2-16(3-13-21)22-26-23(28,15-31-20-10-6-18(25)7-11-20)14-27(22)19-8-4-17(24)5-9-19/h2-13,28H,14-15H2,1H3
InChIKeyOKAGSLDEPJPSDA-UHFFFAOYSA-N
MW491.40 g/mol
LogP4.43
Rot. Bonds6

About 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol

5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol (PubChem CID 22997878) has the molecular formula C23H20Cl2N2O4S and a molecular weight of 491.40 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
PubChem CID22997878
Molecular FormulaC23H20Cl2N2O4S
Molecular Weight491.40 g/mol
Exact Mass490.05
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(COc3ccc(Cl)cc3)CN2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20Cl2N2O4S/c1-32(29,30)21-12-2-16(3-13-21)22-26-23(28,15-31-20-10-6-18(25)7-11-20)14-27(22)19-8-4-17(24)5-9-19/h2-13,28H,14-15H2,1H3
InChIKeyOKAGSLDEPJPSDA-UHFFFAOYSA-N
XLogP4.43
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
CID 22998078
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22997835
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10788846
2-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10742801
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
CID 22998190
2-methyl-2-[(4-methylsulfonylphenoxy)methyl]oxirane
CID 66336733
3-[(4-chlorophenoxy)methyl]-1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole
CID 10504537
5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 67636123

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol (CID 22997878) is 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol is CS(=O)(=O)c1ccc(C2=NC(O)(COc3ccc(Cl)cc3)CN2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The InChIKey is OKAGSLDEPJPSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O4S/c1-32(29,30)21-12-2-16(3-13-21)22-26-23(28,15-31-20-10-6-18(25)7-11-20)14-27(22)19-8-4-17(24)5-9-19/h2-13,28H,14-15H2,1H3.
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol has a molecular weight of 491.40 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol is sourced from PubChem (CID 22997878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).