(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione

C22H19FN4O4 — CID 11546305

IUPAC(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(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/h3-8,10H,1-2,9,11-12H2,(H2,24,25,30,31)/t22-/m0/s1
InChIKeyZYKDRBDNKSNCHT-QFIPXVFZSA-N
MW422.42 g/mol
LogP1.64
Rot. Bonds4

About (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 11546305) has the molecular formula C22H19FN4O4 and a molecular weight of 422.42 g/mol. Its IUPAC name is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID11546305
Molecular FormulaC22H19FN4O4
Molecular Weight422.42 g/mol
Exact Mass422.14
IUPAC Name(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(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/h3-8,10H,1-2,9,11-12H2,(H2,24,25,30,31)/t22-/m0/s1
InChIKeyZYKDRBDNKSNCHT-QFIPXVFZSA-N
XLogP1.64
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione (CID 11546305) is (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione is O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(N3CCCC3=O)cc2)N1.
What is the InChIKey of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is ZYKDRBDNKSNCHT-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/h3-8,10H,1-2,9,11-12H2,(H2,24,25,30,31)/t22-/m0/s1.
What are the key properties of (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-fluoro-3-oxo-1H-isoindol-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 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-oxopyrrolidin-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 11546305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).