5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one

C24H18N4O4S — CID 59240040

IUPAC5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29)
InChIKeyFYTDJHNDUCVUGB-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.95
Rot. Bonds5

About 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 59240040) has the molecular formula C24H18N4O4S and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID59240040
Molecular FormulaC24H18N4O4S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC Name5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29)
InChIKeyFYTDJHNDUCVUGB-UHFFFAOYSA-N
XLogP3.95
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 59240040) is 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(-c4n[nH]c(=O)o4)nc3-c3ccccc3)cc2)c1.
What is the InChIKey of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is FYTDJHNDUCVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S/c1-33(30,31)20-9-5-8-18(14-20)16-10-12-19(13-11-16)28-15-21(23-26-27-24(29)32-23)25-22(28)17-6-3-2-4-7-17/h2-15H,1H3,(H,27,29).
What are the key properties of 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 458.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 59240040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).