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

C23H16ClFN4O3 — CID 90759376

IUPAC(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccnc(Cl)c3)cc2)N1
InChIInChI=1S/C23H16ClFN4O3/c24-19-9-14(7-8-26-19)13-1-4-16(5-2-13)23(21(31)27-22(32)28-23)12-29-11-15-3-6-17(25)10-18(15)20(29)30/h1-11,30H,12H2,(H2,27,28,31,32)/t23-/m1/s1
InChIKeyUDBNOKLMXKPUNO-HSZRJFAPSA-N
MW450.86 g/mol
LogP3.94
Rot. Bonds4

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

(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 90759376) has the molecular formula C23H16ClFN4O3 and a molecular weight of 450.86 g/mol. Its IUPAC name is (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID90759376
Molecular FormulaC23H16ClFN4O3
Molecular Weight450.86 g/mol
Exact Mass450.09
IUPAC Name(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccnc(Cl)c3)cc2)N1
InChIInChI=1S/C23H16ClFN4O3/c24-19-9-14(7-8-26-19)13-1-4-16(5-2-13)23(21(31)27-22(32)28-23)12-29-11-15-3-6-17(25)10-18(15)20(29)30/h1-11,30H,12H2,(H2,27,28,31,32)/t23-/m1/s1
InChIKeyUDBNOKLMXKPUNO-HSZRJFAPSA-N
XLogP3.94
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.86
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
(2S)-3-cyclohexyl-2-(4-fluoro-1-hydroxyisoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 90715981
5-[(6-Fluoro-1-hydroxyisoindol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 90728782
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-pyridin-2-ylthiophen-2-yl)phenyl]imidazolidine-2,4-dione
CID 90730464
(5R)-5-[(1,5-dihydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90740839
5-[4-(5-chloro-6-oxo-1H-pyridin-3-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90750580
5-[[5-[(2-Chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 90759462
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(trifluoromethyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90780342
(5R)-5-[(6-chloro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(4-fluorophenyl)phenyl]imidazolidine-2,4-dione
CID 90782383
5-(4-Fluorophenyl)-5-[[1-hydroxy-6-(3,3,3-trifluoropropyl)isoindol-2-yl]methyl]imidazolidine-2,4-dione
CID 90790489

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 90759376) is (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@](Cn2cc3ccc(F)cc3c2O)(c2ccc(-c3ccnc(Cl)c3)cc2)N1.
What is the InChIKey of (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is UDBNOKLMXKPUNO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H16ClFN4O3/c24-19-9-14(7-8-26-19)13-1-4-16(5-2-13)23(21(31)27-22(32)28-23)12-29-11-15-3-6-17(25)10-18(15)20(29)30/h1-11,30H,12H2,(H2,27,28,31,32)/t23-/m1/s1.
What are the key properties of (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 450.86 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90759376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).