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

C18H13ClFN3O3 — CID 11675173

IUPAC5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13ClFN3O3/c19-12-3-6-14-10(7-12)8-23(15(14)24)9-18(16(25)21-17(26)22-18)11-1-4-13(20)5-2-11/h1-7H,8-9H2,(H2,21,22,25,26)
InChIKeyJBUMSXZQHQQUPH-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.17
Rot. Bonds3

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

5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 11675173) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID11675173
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13ClFN3O3/c19-12-3-6-14-10(7-12)8-23(15(14)24)9-18(16(25)21-17(26)22-18)11-1-4-13(20)5-2-11/h1-7H,8-9H2,(H2,21,22,25,26)
InChIKeyJBUMSXZQHQQUPH-UHFFFAOYSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ML375
CID 71598521
(R)-5-((6-chloro-1-oxoisoindolin-2-yl)methyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 46844314
(R)-5-(4-(5-chloro-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)imidazolidine-2,4-dione
CID 46933999
(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
1-benzoyl-9b-(4-chlorophenyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3490267
9b-(4-chlorophenyl)-1-(4-fluorobenzoyl)-1,2,3,9b-tetrahydro-5H-imidazo[2,1-a]isoindol-5-one
CID 3724240
9b-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydroimidazo[2,1-a]isoindole-1-carboxamide
CID 11270509
9b-(3-Chlorophenyl)-1-(4-fluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11304327
9b-(4-Chlorophenyl)-1-propanoyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 11416547
5-[(5-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(2,4-difluorophenyl)imidazolidine-2,4-dione
CID 11668295
(5R)-5-[4-(2,4-difluorophenyl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 49864990
(R)-5-((6-fluoro-1-oxoisoindolin-2-yl)methyl)-5-(4''-(trifluoromethyl)biphenyl-4-yl)imidazolidine-2,4-dione
CID 49864991

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 11675173) is 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CN2Cc3cc(Cl)ccc3C2=O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is JBUMSXZQHQQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c19-12-3-6-14-10(7-12)8-23(15(14)24)9-18(16(25)21-17(26)22-18)11-1-4-13(20)5-2-11/h1-7H,8-9H2,(H2,21,22,25,26).
What are the key properties of 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 373.77 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 11675173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).