5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C18H15FN4O3 — CID 126748368

IUPAC5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C18H15FN4O3/c19-12-3-1-11(2-4-12)18(16(25)21-17(26)22-18)9-23-8-10-7-13(20)5-6-14(10)15(23)24/h1-7H,8-9,20H2,(H2,21,22,25,26)
InChIKeyTUBVOCVGPDYTDC-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.10
Rot. Bonds3

About 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 126748368) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID126748368
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESNc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O
InChIInChI=1S/C18H15FN4O3/c19-12-3-1-11(2-4-12)18(16(25)21-17(26)22-18)9-23-8-10-7-13(20)5-6-14(10)15(23)24/h1-7H,8-9,20H2,(H2,21,22,25,26)
InChIKeyTUBVOCVGPDYTDC-UHFFFAOYSA-N
XLogP1.10
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(6-oxo-1,6-dihydropyridin-3-yl)phenyl)imidazolidine-2,4-dione
CID 46933693
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4-(2-oxopyrrolidin-1-yl)phenyl)imidazolidine-2,4-dione
CID 11546305
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 49864990
4-[[2-(4-Methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]benzamide
CID 4006479
5-fluoro-1-[(4-fluorophenyl)methyl]spiro[2H-indole-3,5'-imidazolidine]-2',4'-dione
CID 44273340
5-methyl-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 44534066
5-(4-fluorophenyl)-5-[(3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46881430
5-fluoro-N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509650
5-fluoro-N-[4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509658
N-[4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509720
N-[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509756
N-[4-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509772

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 126748368) is 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is Nc1ccc2c(c1)CN(CC1(c3ccc(F)cc3)NC(=O)NC1=O)C2=O.
What is the InChIKey of 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is TUBVOCVGPDYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c19-12-3-1-11(2-4-12)18(16(25)21-17(26)22-18)9-23-8-10-7-13(20)5-6-14(10)15(23)24/h1-7H,8-9,20H2,(H2,21,22,25,26).
What are the key properties of 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 354.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126748368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).