1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole

C23H19FN2O2S2 — CID 163368821

IUPAC1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole
SMILESCS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cn2-c2cccc(F)c2)cc1
InChIInChI=1S/C23H19FN2O2S2/c1-30(27,28)21-12-10-17(11-13-21)16-29-23-25-22(18-6-3-2-4-7-18)15-26(23)20-9-5-8-19(24)14-20/h2-15H,16H2,1H3
InChIKeyUYXCXNFNSVCXNL-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.37
Rot. Bonds6

About 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole

1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole (PubChem CID 163368821) has the molecular formula C23H19FN2O2S2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole
PubChem CID163368821
Molecular FormulaC23H19FN2O2S2
Molecular Weight438.55 g/mol
Exact Mass438.09
IUPAC Name1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole
SMILESCS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cn2-c2cccc(F)c2)cc1
InChIInChI=1S/C23H19FN2O2S2/c1-30(27,28)21-12-10-17(11-13-21)16-29-23-25-22(18-6-3-2-4-7-18)15-26(23)20-9-5-8-19(24)14-20/h2-15H,16H2,1H3
InChIKeyUYXCXNFNSVCXNL-UHFFFAOYSA-N
XLogP5.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 163368823
2-(cyclohexylmethylsulfanyl)-1-(3-fluorophenyl)-4-phenylimidazole
CID 163368845
tert-butyl N-[4-[[4-[4-[4-[2-[[4-(difluoromethyl)phenyl]methylsulfanyl]-1-(3-fluorophenyl)imidazol-4-yl]phenyl]phenyl]-1-(3-fluorophenyl)imidazol-2-yl]sulfanylmethyl]phenyl]carbamate
CID 167081528
2-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]sulfanyl-1-phenylethanone
CID 3334815
1-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylsulfanyl]-4-phenylimidazole
CID 69188613
N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-1-(3-fluorophenyl)-4-phenylimidazol-2-amine
CID 163368881
2-(3-fluorophenyl)-1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazole
CID 11794412
7-(3-fluorophenyl)-4-[(4-fluorophenyl)methylsulfanyl]-5-phenylpyrrolo[2,3-d]pyrimidine
CID 4207734
3-[(4-fluorophenyl)methylsulfanyl]-5-[(4-methylphenyl)sulfonylmethyl]-4-phenyl-1,2,4-triazole
CID 23407850
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
CID 142958781
2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine
CID 7225476
1-(4-ethylphenyl)-2,4-diphenylimidazole
CID 173201564

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole?
The IUPAC name of 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole (CID 163368821) is 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole is CS(=O)(=O)c1ccc(CSc2nc(-c3ccccc3)cn2-c2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole?
The InChIKey is UYXCXNFNSVCXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S2/c1-30(27,28)21-12-10-17(11-13-21)16-29-23-25-22(18-6-3-2-4-7-18)15-26(23)20-9-5-8-19(24)14-20/h2-15H,16H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole?
1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole has a molecular weight of 438.55 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(4-methylsulfonylphenyl)methylsulfanyl]-4-phenylimidazole is sourced from PubChem (CID 163368821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).