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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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).