1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole

C20H22N2O2S — CID 165425245

IUPAC1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
SMILESCc1ccc(CCCn2ccnc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-5-7-17(8-6-16)4-3-14-22-15-13-21-20(22)18-9-11-19(12-10-18)25(2,23)24/h5-13,15H,3-4,14H2,1-2H3
InChIKeyKFKULLCTXWEJOU-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.89
Rot. Bonds6

About 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole

1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole (PubChem CID 165425245) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
PubChem CID165425245
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole
SMILESCc1ccc(CCCn2ccnc2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-5-7-17(8-6-16)4-3-14-22-15-13-21-20(22)18-9-11-19(12-10-18)25(2,23)24/h5-13,15H,3-4,14H2,1-2H3
InChIKeyKFKULLCTXWEJOU-UHFFFAOYSA-N
XLogP3.89
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
SK&F 105809
CID 129725
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
1-(4-Methanesulfonyl-phenyl)-2-p-tolyl-4-trifluoromethyl-1H-imidazole
CID 10199764
2-(3-Fluoro-4-methyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10501037
1-[4-(Methylsulfonyl)phenyl]-2-[4-(dimethylamino)phenyl]-4-(trifluoromethyl)-1H-imidazole
CID 10501652
2-(3,4-Dimethyl-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10810622
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole-2-carbonitrile
CID 10882387
2-Chloro-1-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 11035516
1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-1H-imidazole
CID 11121068
2-Bromo-1-(4-fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 11731998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole (CID 165425245) is 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole is Cc1ccc(CCCn2ccnc2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole?
The InChIKey is KFKULLCTXWEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-16-5-7-17(8-6-16)4-3-14-22-15-13-21-20(22)18-9-11-19(12-10-18)25(2,23)24/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole?
1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole has a molecular weight of 354.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)propyl]-2-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 165425245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).