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

C23H17FN2O3S — CID 11825947

IUPAC[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-25-23(26)22(27)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyAPIVYOPADRVVPJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.31
Rot. Bonds5

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

[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone (PubChem CID 11825947) has the molecular formula C23H17FN2O3S and a molecular weight of 420.47 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
PubChem CID11825947
Molecular FormulaC23H17FN2O3S
Molecular Weight420.47 g/mol
Exact Mass420.09
IUPAC Name[5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone
SMILESCS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-25-23(26)22(27)17-5-3-2-4-6-17/h2-15H,1H3
InChIKeyAPIVYOPADRVVPJ-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 [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone (CID 11825947) is [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone is CS(=O)(=O)c1ccc(-n2c(-c3ccc(F)cc3)cnc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
The InChIKey is APIVYOPADRVVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3S/c1-30(28,29)20-13-11-19(12-14-20)26-21(16-7-9-18(24)10-8-16)15-25-23(26)22(27)17-5-3-2-4-6-17/h2-15H,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone?
[5-(4-fluorophenyl)-1-(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 [5-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 11825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).