[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone

C23H17FN2O3S — CID 11058879

IUPAC[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-7-16(8-14-20)21-15-25-23(22(27)17-5-3-2-4-6-17)26(21)19-11-9-18(24)10-12-19/h2-15H,1H3
InChIKeyPFDLSVYYAZJPGK-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.31
Rot. Bonds5

About [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone

[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone (PubChem CID 11058879) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
PubChem CID11058879
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-7-16(8-14-20)21-15-25-23(22(27)17-5-3-2-4-6-17)26(21)19-11-9-18(24)10-12-19/h2-15H,1H3
InChIKeyPFDLSVYYAZJPGK-UHFFFAOYSA-N
XLogP4.31
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone (CID 11058879) is [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone is CS(=O)(=O)c1ccc(-c2cnc(C(=O)c3ccccc3)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The InChIKey is PFDLSVYYAZJPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-7-16(8-14-20)21-15-25-23(22(27)17-5-3-2-4-6-17)26(21)19-11-9-18(24)10-12-19/h2-15H,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone has a molecular weight of 420.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 11058879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).