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

C23H17FN4O3 — CID 91164804

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cccnc3)cc2)N1
InChIInChI=1S/C23H17FN4O3/c24-18-8-5-16-12-28(20(29)19(16)10-18)13-23(21(30)26-22(31)27-23)17-6-3-14(4-7-17)15-2-1-9-25-11-15/h1-12,29H,13H2,(H2,26,27,30,31)/t23-/m0/s1
InChIKeyPEIXQAWGUVVYAC-QHCPKHFHSA-N
MW416.41 g/mol
LogP3.28
Rot. Bonds4

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

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione (PubChem CID 91164804) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
PubChem CID91164804
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cccnc3)cc2)N1
InChIInChI=1S/C23H17FN4O3/c24-18-8-5-16-12-28(20(29)19(16)10-18)13-23(21(30)26-22(31)27-23)17-6-3-14(4-7-17)15-2-1-9-25-11-15/h1-12,29H,13H2,(H2,26,27,30,31)/t23-/m0/s1
InChIKeyPEIXQAWGUVVYAC-QHCPKHFHSA-N
XLogP3.28
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.28
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-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione (CID 91164804) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3cccnc3)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is PEIXQAWGUVVYAC-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17FN4O3/c24-18-8-5-16-12-28(20(29)19(16)10-18)13-23(21(30)26-22(31)27-23)17-6-3-14(4-7-17)15-2-1-9-25-11-15/h1-12,29H,13H2,(H2,26,27,30,31)/t23-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 416.41 g/mol, XLogP of 3.28, 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-pyridin-3-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91164804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).