(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione

C22H19FN4O4 — CID 91137032

IUPAC(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(N3CCCC3=O)cc2)N1
InChIInChI=1S/C22H19FN4O4/c23-15-6-3-13-11-26(19(29)17(13)10-15)12-22(20(30)24-21(31)25-22)14-4-7-16(8-5-14)27-9-1-2-18(27)28/h3-8,10-11,29H,1-2,9,12H2,(H2,24,25,30,31)/t22-/m0/s1
InChIKeyHEBYSWPWDDYMNB-QFIPXVFZSA-N
MW422.42 g/mol
LogP2.35
Rot. Bonds4

About (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 91137032) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID91137032
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(N3CCCC3=O)cc2)N1
InChIInChI=1S/C22H19FN4O4/c23-15-6-3-13-11-26(19(29)17(13)10-15)12-22(20(30)24-21(31)25-22)14-4-7-16(8-5-14)27-9-1-2-18(27)28/h3-8,10-11,29H,1-2,9,12H2,(H2,24,25,30,31)/t22-/m0/s1
InChIKeyHEBYSWPWDDYMNB-QFIPXVFZSA-N
XLogP2.35
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(2,6-Dioxopiperidin-3-yl)-1-hydroxyisoindol-5-yl]methyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 90692294
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazolidine-2,4-dione
CID 90697260
(5R)-5-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90698350
3-[7-fluoro-3-hydroxy-2-[(4-pyrrol-1-ylphenyl)methyl]isoindol-1-yl]-N-(5-fluoro-2-pyridinyl)propanamide
CID 90700125
5-(2,4-Difluorophenyl)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90707302
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
(5S)-5-[4-(2-chloro-4-pyridinyl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 90759376
(5S)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-[2-(trifluoromethyl)phenyl]phenyl]imidazolidine-2,4-dione
CID 90769418
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 90772494

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione (CID 91137032) is (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](Cn2cc3ccc(F)cc3c2O)(c2ccc(N3CCCC3=O)cc2)N1.
What is the InChIKey of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is HEBYSWPWDDYMNB-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H19FN4O4/c23-15-6-3-13-11-26(19(29)17(13)10-15)12-22(20(30)24-21(31)25-22)14-4-7-16(8-5-14)27-9-1-2-18(27)28/h3-8,10-11,29H,1-2,9,12H2,(H2,24,25,30,31)/t22-/m0/s1.
What are the key properties of (5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 422.42 g/mol, XLogP of 2.35, 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-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91137032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).