4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole

C19H19ClN2O2S — CID 10109982

IUPAC4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(2)14-4-6-15(7-5-14)18-19(20)21-12-22(18)16-8-10-17(11-9-16)25(3,23)24/h4-13H,1-3H3
InChIKeyYYMYDMNJOINLFF-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.72
Rot. Bonds4

About 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole

4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole (PubChem CID 10109982) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole
PubChem CID10109982
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(2)14-4-6-15(7-5-14)18-19(20)21-12-22(18)16-8-10-17(11-9-16)25(3,23)24/h4-13H,1-3H3
InChIKeyYYMYDMNJOINLFF-UHFFFAOYSA-N
XLogP4.72
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
1-(4-Methanesulfonyl-phenyl)-2-m-tolyl-4-trifluoromethyl-1H-imidazole
CID 10110298
4-Chloro-5-(3,5-difluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10133653
1-(4-Methanesulfonyl-phenyl)-2-p-tolyl-4-trifluoromethyl-1H-imidazole
CID 10199764
{4-[5-Chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-phenyl}-diethyl-amine
CID 10222861
4-Chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole
CID 10270798
2-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-4-phenyl-1H-imidazole
CID 10294921
1-(4-Methanesulfonyl-phenyl)-2-o-tolyl-4-trifluoromethyl-1H-imidazole
CID 10452350
2-(3-Fluoro-4-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10501037
1-[4-(Methylsulfonyl)phenyl]-2-(4-chlorophenyl)-4-(trifluoromethyl)-1H-imidazole
CID 10501190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole (CID 10109982) is 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole is CC(C)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole?
The InChIKey is YYMYDMNJOINLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13(2)14-4-6-15(7-5-14)18-19(20)21-12-22(18)16-8-10-17(11-9-16)25(3,23)24/h4-13H,1-3H3.
What are the key properties of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole?
4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole has a molecular weight of 374.89 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 10109982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).