(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione

C22H16FN3O3S — CID 91310833

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccsc3)cc2)N1
InChIInChI=1S/C22H16FN3O3S/c23-17-6-3-14-10-26(19(27)18(14)9-17)12-22(20(28)24-21(29)25-22)16-4-1-13(2-5-16)15-7-8-30-11-15/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m0/s1
InChIKeySBJYGGDWMMKPPR-QFIPXVFZSA-N
MW421.45 g/mol
LogP3.95
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione (PubChem CID 91310833) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione
PubChem CID91310833
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccsc3)cc2)N1
InChIInChI=1S/C22H16FN3O3S/c23-17-6-3-14-10-26(19(27)18(14)9-17)12-22(20(28)24-21(29)25-22)16-4-1-13(2-5-16)15-7-8-30-11-15/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m0/s1
InChIKeySBJYGGDWMMKPPR-QFIPXVFZSA-N
XLogP3.95
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione (CID 91310833) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccsc3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is SBJYGGDWMMKPPR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-17-6-3-14-10-26(19(27)18(14)9-17)12-22(20(28)24-21(29)25-22)16-4-1-13(2-5-16)15-7-8-30-11-15/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 421.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-thiophen-3-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91310833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).