5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole

C17H15FN2O2S — CID 10914501

IUPAC5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole
SMILESCc1ncn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-17(13-3-5-14(18)6-4-13)20(11-19-12)15-7-9-16(10-8-15)23(2,21)22/h3-11H,1-2H3
InChIKeyAPBNKLHZYXHTKZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.39
Rot. Bonds3

About 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole

5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole (PubChem CID 10914501) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole
PubChem CID10914501
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole
SMILESCc1ncn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S/c1-12-17(13-3-5-14(18)6-4-13)20(11-19-12)15-7-9-16(10-8-15)23(2,21)22/h3-11H,1-2H3
InChIKeyAPBNKLHZYXHTKZ-UHFFFAOYSA-N
XLogP3.39
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole
CID 9946200
1-(4-Difluoromethylsulfanyl-phenyl)-3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005519
SB 203580, Sulfone
CID 6610350
2-(3-Chloro-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 9822332
4-[2-(5-Methyl-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 9842937
3-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9929140
1-(4-(methylsulfonyl)phenyl]-2-phenyl-4-trifluoromethyl-1H-imidazole
CID 9947305
2-[1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-1H-imidazol-2-yl]pyridine
CID 9947371
4-[5-(4-Fluorophenyl)-3-(3-methylsulfanylpropyl)imidazol-4-yl]pyridine
CID 10087844
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole (CID 10914501) is 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole is Cc1ncn(-c2ccc(S(C)(=O)=O)cc2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole?
The InChIKey is APBNKLHZYXHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-12-17(13-3-5-14(18)6-4-13)20(11-19-12)15-7-9-16(10-8-15)23(2,21)22/h3-11H,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole?
5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole has a molecular weight of 330.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-1-(4-methylsulfonylphenyl)imidazole is sourced from PubChem (CID 10914501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).