(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione

C22H16FN3O3S — CID 91099862

IUPAC(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccccc3)s2)N1
InChIInChI=1S/C22H16FN3O3S/c23-15-7-6-14-11-26(19(27)16(14)10-15)12-22(20(28)24-21(29)25-22)18-9-8-17(30-18)13-4-2-1-3-5-13/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m1/s1
InChIKeyWZRJQCUFPVAANX-JOCHJYFZSA-N
MW421.45 g/mol
LogP3.95
Rot. Bonds4

About (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione (PubChem CID 91099862) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione
PubChem CID91099862
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccccc3)s2)N1
InChIInChI=1S/C22H16FN3O3S/c23-15-7-6-14-11-26(19(27)16(14)10-15)12-22(20(28)24-21(29)25-22)18-9-8-17(30-18)13-4-2-1-3-5-13/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m1/s1
InChIKeyWZRJQCUFPVAANX-JOCHJYFZSA-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'}

Analyze (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione (CID 91099862) is (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccccc3)s2)N1.
What is the InChIKey of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione?
The InChIKey is WZRJQCUFPVAANX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-15-7-6-14-11-26(19(27)16(14)10-15)12-22(20(28)24-21(29)25-22)18-9-8-17(30-18)13-4-2-1-3-5-13/h1-11,27H,12H2,(H2,24,25,28,29)/t22-/m1/s1.
What are the key properties of (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione?
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)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 (5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-phenylthiophen-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 91099862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).