Fosphenytoin

C16H15N2O6P — CID 56339

IUPAC(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate
SMILESC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
InChIInChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
InChIKeyXWLUWCNOOVRFPX-UHFFFAOYSA-N
MW362.27 g/mol
LogP0.60
Rot. Bonds5

About Fosphenytoin

Fosphenytoin (PubChem CID 56339) has the molecular formula C16H15N2O6P and a molecular weight of 362.27 g/mol. Its IUPAC name is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound NameFosphenytoin
PubChem CID56339
Molecular FormulaC16H15N2O6P
Molecular Weight362.27 g/mol
Exact Mass362.07
IUPAC Name(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate
SMILESC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3
InChIInChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)
InChIKeyXWLUWCNOOVRFPX-UHFFFAOYSA-N
XLogP0.60
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity547

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Phenytoin
CID 1775
Mephenytoin
CID 4060
Phenytoin Sodium
CID 657302
Fosphenytoin Sodium
CID 56338
Mephenytoin, (+)-
CID 107921
Methetoin
CID 21908
5-(4'-Methylphenyl)-5-phenylhydantoin
CID 92334
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
Doxenitoin
CID 18622
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899

Frequently Asked Questions

What is the IUPAC name of Fosphenytoin?
The IUPAC name of Fosphenytoin (CID 56339) is (2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl dihydrogen phosphate.
What is the SMILES notation for Fosphenytoin?
The canonical SMILES for Fosphenytoin is C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)COP(=O)(O)O)C3=CC=CC=C3.
What is the InChIKey of Fosphenytoin?
The InChIKey is XWLUWCNOOVRFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23).
What are the key properties of Fosphenytoin?
Fosphenytoin has a molecular weight of 362.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Fosphenytoin is sourced from PubChem (CID 56339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).