4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole

C19H19ClN2O2S — CID 10270798

IUPAC4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole
SMILESCCCc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-3-4-14-5-7-15(8-6-14)18-19(20)21-13-22(18)16-9-11-17(12-10-16)25(2,23)24/h5-13H,3-4H2,1-2H3
InChIKeyGZNOOYRMMQBBTO-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.55
Rot. Bonds5

About 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole

4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole (PubChem CID 10270798) 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-propylphenyl)imidazole.

Molecular Properties

Compound Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole
PubChem CID10270798
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole
SMILESCCCc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-3-4-14-5-7-15(8-6-14)18-19(20)21-13-22(18)16-9-11-17(12-10-16)25(2,23)24/h5-13H,3-4H2,1-2H3
InChIKeyGZNOOYRMMQBBTO-UHFFFAOYSA-N
XLogP4.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.55
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
4-[5-(4-Fluorophenyl)-3-(4-methylsulfinylphenyl)imidazol-4-yl]pyridine
CID 10091003
4-Chloro-5-(4-isopropyl-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10109982
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
2-(3-Fluoro-5-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10200861
{4-[5-Chloro-3-(4-methanesulfonyl-phenyl)-3H-imidazol-4-yl]-phenyl}-diethyl-amine
CID 10222861
2-(3,4-Difluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10294501
2-(4-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-4-phenyl-1H-imidazole
CID 10294921

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole?
The IUPAC name of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole (CID 10270798) is 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole.
What is the SMILES notation for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole?
The canonical SMILES for 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole is CCCc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole?
The InChIKey is GZNOOYRMMQBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-3-4-14-5-7-15(8-6-14)18-19(20)21-13-22(18)16-9-11-17(12-10-16)25(2,23)24/h5-13H,3-4H2,1-2H3.
What are the key properties of 4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole?
4-chloro-1-(4-methylsulfonylphenyl)-5-(4-propylphenyl)imidazole has a molecular weight of 374.89 g/mol, XLogP of 4.55, 5 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-propylphenyl)imidazole is sourced from PubChem (CID 10270798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).