5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol

C22H18BrClN2O3S — CID 67636123

IUPAC5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(c3ccc(Br)cc3)CN2c2ccccc2Cl)cc1
InChIInChI=1S/C22H18BrClN2O3S/c1-30(28,29)18-12-6-15(7-13-18)21-25-22(27,16-8-10-17(23)11-9-16)14-26(21)20-5-3-2-4-19(20)24/h2-13,27H,14H2,1H3
InChIKeyQGNSYTHOVGCMCI-UHFFFAOYSA-N
MW505.82 g/mol
LogP4.62
Rot. Bonds4

About 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol

5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol (PubChem CID 67636123) has the molecular formula C22H18BrClN2O3S and a molecular weight of 505.82 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
PubChem CID67636123
Molecular FormulaC22H18BrClN2O3S
Molecular Weight505.82 g/mol
Exact Mass503.99
IUPAC Name5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
SMILESCS(=O)(=O)c1ccc(C2=NC(O)(c3ccc(Br)cc3)CN2c2ccccc2Cl)cc1
InChIInChI=1S/C22H18BrClN2O3S/c1-30(28,29)18-12-6-15(7-13-18)21-25-22(27,16-8-10-17(23)11-9-16)14-26(21)20-5-3-2-4-19(20)24/h2-13,27H,14H2,1H3
InChIKeyQGNSYTHOVGCMCI-UHFFFAOYSA-N
XLogP4.62
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22997835
2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
CID 22998078
5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 22997878
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
4-(4-bromophenyl)-2-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
CID 22911730
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
2-(3-chloro-4-methylsulfanylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 10742801
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
CID 57377649
1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171690872
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
CID 22997777
1-(2-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-phenyl-2H-pyrrol-5-one
CID 10319221

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The IUPAC name of 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol (CID 67636123) is 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol.
What is the SMILES notation for 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The canonical SMILES for 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol is CS(=O)(=O)c1ccc(C2=NC(O)(c3ccc(Br)cc3)CN2c2ccccc2Cl)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
The InChIKey is QGNSYTHOVGCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O3S/c1-30(28,29)18-12-6-15(7-13-18)21-25-22(27,16-8-10-17(23)11-9-16)14-26(21)20-5-3-2-4-19(20)24/h2-13,27H,14H2,1H3.
What are the key properties of 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol?
5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol has a molecular weight of 505.82 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(2-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol is sourced from PubChem (CID 67636123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).