2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole

C25H21FN2O2S — CID 5188272

IUPAC2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole
SMILESC=CCn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21FN2O2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)31(29,30)18-19-13-15-22(26)16-14-19/h2-16H,1,17-18H2
InChIKeyIHFYMLJXXMZEMN-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.52
Rot. Bonds7

About 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole

2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole (PubChem CID 5188272) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole
PubChem CID5188272
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC Name2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole
SMILESC=CCn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21FN2O2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)31(29,30)18-19-13-15-22(26)16-14-19/h2-16H,1,17-18H2
InChIKeyIHFYMLJXXMZEMN-UHFFFAOYSA-N
XLogP5.52
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole (CID 5188272) is 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole is C=CCn1c(S(=O)(=O)Cc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole?
The InChIKey is IHFYMLJXXMZEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c1-2-17-28-24(21-11-7-4-8-12-21)23(20-9-5-3-6-10-20)27-25(28)31(29,30)18-19-13-15-22(26)16-14-19/h2-16H,1,17-18H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole?
2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole has a molecular weight of 432.52 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfonyl]-4,5-diphenyl-1-prop-2-enylimidazole is sourced from PubChem (CID 5188272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).