(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

C22H17N5O4 — CID 90881623

IUPAC(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(O)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C22H17N5O4/c28-16-6-3-14-11-27(19(29)17(14)9-16)12-22(20(30)25-21(31)26-22)15-4-1-13(2-5-15)18-10-23-7-8-24-18/h1-11,28-29H,12H2,(H2,25,26,30,31)/t22-/m0/s1
InChIKeyAZTKQELZYURUNS-QFIPXVFZSA-N
MW415.41 g/mol
LogP2.24
Rot. Bonds4

About (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione

(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 90881623) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID90881623
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(O)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1
InChIInChI=1S/C22H17N5O4/c28-16-6-3-14-11-27(19(29)17(14)9-16)12-22(20(30)25-21(31)26-22)15-4-1-13(2-5-15)18-10-23-7-8-24-18/h1-11,28-29H,12H2,(H2,25,26,30,31)/t22-/m0/s1
InChIKeyAZTKQELZYURUNS-QFIPXVFZSA-N
XLogP2.24
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.24
H-Bond Donors ≤ 54
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 (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione (CID 90881623) is (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(O)cc3c2O)(c2ccc(-c3cnccn3)cc2)N1.
What is the InChIKey of (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is AZTKQELZYURUNS-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17N5O4/c28-16-6-3-14-11-27(19(29)17(14)9-16)12-22(20(30)25-21(31)26-22)15-4-1-13(2-5-15)18-10-23-7-8-24-18/h1-11,28-29H,12H2,(H2,25,26,30,31)/t22-/m0/s1.
What are the key properties of (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione?
(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 415.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyrazin-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90881623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).