5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C24H18ClFN4O4 — CID 90759462

IUPAC5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(OCc4ccnc(Cl)c4)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H18ClFN4O4/c25-20-9-14(7-8-27-20)12-34-18-5-6-19-15(10-18)11-30(21(19)31)13-24(22(32)28-23(33)29-24)16-1-3-17(26)4-2-16/h1-11,31H,12-13H2,(H2,28,29,32,33)
InChIKeyWMLWSCXRBVEKNA-UHFFFAOYSA-N
MW480.88 g/mol
LogP3.85
Rot. Bonds6

About 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 90759462) has the molecular formula C24H18ClFN4O4 and a molecular weight of 480.88 g/mol. Its IUPAC name is 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID90759462
Molecular FormulaC24H18ClFN4O4
Molecular Weight480.88 g/mol
Exact Mass480.10
IUPAC Name5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cn2cc3cc(OCc4ccnc(Cl)c4)ccc3c2O)(c2ccc(F)cc2)N1
InChIInChI=1S/C24H18ClFN4O4/c25-20-9-14(7-8-27-20)12-34-18-5-6-19-15(10-18)11-30(21(19)31)13-24(22(32)28-23(33)29-24)16-1-3-17(26)4-2-16/h1-11,31H,12-13H2,(H2,28,29,32,33)
InChIKeyWMLWSCXRBVEKNA-UHFFFAOYSA-N
XLogP3.85
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 90759462) is 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(=O)C(Cn2cc3cc(OCc4ccnc(Cl)c4)ccc3c2O)(c2ccc(F)cc2)N1.
What is the InChIKey of 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is WMLWSCXRBVEKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O4/c25-20-9-14(7-8-27-20)12-34-18-5-6-19-15(10-18)11-30(21(19)31)13-24(22(32)28-23(33)29-24)16-1-3-17(26)4-2-16/h1-11,31H,12-13H2,(H2,28,29,32,33).
What are the key properties of 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 480.88 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(2-chloro-4-pyridinyl)methoxy]-1-hydroxyisoindol-2-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 90759462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).