5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole

C22H18F2N2O2S — CID 10223395

IUPAC5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole
SMILESCS(=O)(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H18F2N2O2S/c1-29(27,28)20-4-2-3-15(13-20)21-25-14-22(26-21,16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyGPVRTSCLEVUEQI-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.66
Rot. Bonds4

About 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole

5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole (PubChem CID 10223395) has the molecular formula C22H18F2N2O2S and a molecular weight of 412.46 g/mol. Its IUPAC name is 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole.

Molecular Properties

Compound Name5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole
PubChem CID10223395
Molecular FormulaC22H18F2N2O2S
Molecular Weight412.46 g/mol
Exact Mass412.11
IUPAC Name5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole
SMILESCS(=O)(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H18F2N2O2S/c1-29(27,28)20-4-2-3-15(13-20)21-25-14-22(26-21,16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyGPVRTSCLEVUEQI-UHFFFAOYSA-N
XLogP3.66
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole?
The IUPAC name of 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole (CID 10223395) is 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole.
What is the SMILES notation for 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole?
The canonical SMILES for 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole is CS(=O)(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1.
What is the InChIKey of 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole?
The InChIKey is GPVRTSCLEVUEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2S/c1-29(27,28)20-4-2-3-15(13-20)21-25-14-22(26-21,16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole?
5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole has a molecular weight of 412.46 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-fluorophenyl)-2-(3-methylsulfonylphenyl)-1,4-dihydroimidazole is sourced from PubChem (CID 10223395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).