5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione

C22H17FN4O4S — CID 91142828

IUPAC5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(OCc4nccs4)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C22H17FN4O4S/c23-15-3-1-14(2-4-15)22(20(29)25-21(30)26-22)12-27-10-13-9-16(5-6-17(13)19(27)28)31-11-18-24-7-8-32-18/h1-10,28H,11-12H2,(H2,25,26,29,30)
InChIKeyGXGCZLAZVZTKPP-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.26
Rot. Bonds6

About 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione

5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione (PubChem CID 91142828) has the molecular formula C22H17FN4O4S and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione
PubChem CID91142828
Molecular FormulaC22H17FN4O4S
Molecular Weight452.47 g/mol
Exact Mass452.10
IUPAC Name5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(OCc4nccs4)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C22H17FN4O4S/c23-15-3-1-14(2-4-15)22(20(29)25-21(30)26-22)12-27-10-13-9-16(5-6-17(13)19(27)28)31-11-18-24-7-8-32-18/h1-10,28H,11-12H2,(H2,25,26,29,30)
InChIKeyGXGCZLAZVZTKPP-UHFFFAOYSA-N
XLogP3.26
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione (CID 91142828) is 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3cc(OCc4nccs4)ccc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GXGCZLAZVZTKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O4S/c23-15-3-1-14(2-4-15)22(20(29)25-21(30)26-22)12-27-10-13-9-16(5-6-17(13)19(27)28)31-11-18-24-7-8-32-18/h1-10,28H,11-12H2,(H2,25,26,29,30).
What are the key properties of 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione?
5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 452.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-[[1-hydroxy-5-(1,3-thiazol-2-ylmethoxy)isoindol-2-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91142828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).