5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C18H12Cl2FN3O3 — CID 91116411

IUPAC5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(Cl)c(Cl)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-7,25H,8H2,(H2,22,23,26,27)
InChIKeyLZNPPKPCPDSNQQ-UHFFFAOYSA-N
MW408.22 g/mol
LogP3.53
Rot. Bonds3

About 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 91116411) has the molecular formula C18H12Cl2FN3O3 and a molecular weight of 408.22 g/mol. Its IUPAC name is 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID91116411
Molecular FormulaC18H12Cl2FN3O3
Molecular Weight408.22 g/mol
Exact Mass407.02
IUPAC Name5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(Cl)c(Cl)cc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-7,25H,8H2,(H2,22,23,26,27)
InChIKeyLZNPPKPCPDSNQQ-UHFFFAOYSA-N
XLogP3.53
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-bromo-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91572855
(5R)-5-(4-fluorophenyl)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91099618
(5R)-5-[4-(5-chloro-2-oxo-1H-pyridin-4-yl)phenyl]-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 91498741
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-indol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91104758
(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91318323
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1H-imidazol-2-yl)phenyl]imidazolidine-2,4-dione
CID 91441317
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(2-oxo-1H-pyridin-3-yl)phenyl]imidazolidine-2,4-dione
CID 91007023
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-(4-pyridin-3-ylphenyl)imidazolidine-2,4-dione
CID 91164804
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(3-methyl-2H-indazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 91255807
5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 91252035
5-[(1-hydroxy-5-methoxyisoindol-2-yl)methyl]-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 91518354
(5R)-5-[(6-fluoro-1-hydroxyisoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 90930043

Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 91116411) is 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3cc(Cl)c(Cl)cc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is LZNPPKPCPDSNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O3/c19-13-5-9-7-24(15(25)12(9)6-14(13)20)8-18(16(26)22-17(27)23-18)10-1-3-11(21)4-2-10/h1-7,25H,8H2,(H2,22,23,26,27).
What are the key properties of 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 408.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dichloro-1-hydroxyisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91116411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).