5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C18H13FIN3O4 — CID 91252035

IUPAC5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3c(I)c(O)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13FIN3O4/c19-10-3-1-9(2-4-10)18(16(26)21-17(27)22-18)8-23-7-12-11(15(23)25)5-6-13(24)14(12)20/h1-7,24-25H,8H2,(H2,21,22,26,27)
InChIKeyQOOLNZQYVINBGN-UHFFFAOYSA-N
MW481.22 g/mol
LogP2.53
Rot. Bonds3

About 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 91252035) has the molecular formula C18H13FIN3O4 and a molecular weight of 481.22 g/mol. Its IUPAC name is 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID91252035
Molecular FormulaC18H13FIN3O4
Molecular Weight481.22 g/mol
Exact Mass480.99
IUPAC Name5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3c(I)c(O)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C18H13FIN3O4/c19-10-3-1-9(2-4-10)18(16(26)21-17(27)22-18)8-23-7-12-11(15(23)25)5-6-13(24)14(12)20/h1-7,24-25H,8H2,(H2,21,22,26,27)
InChIKeyQOOLNZQYVINBGN-UHFFFAOYSA-N
XLogP2.53
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.22
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 91252035) is 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3c(I)c(O)ccc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is QOOLNZQYVINBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FIN3O4/c19-10-3-1-9(2-4-10)18(16(26)21-17(27)22-18)8-23-7-12-11(15(23)25)5-6-13(24)14(12)20/h1-7,24-25H,8H2,(H2,21,22,26,27).
What are the key properties of 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 481.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dihydroxy-4-iodoisoindol-2-yl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 91252035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).