1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione

C10H6F2N2O3 — CID 54965624

IUPAC1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C10H6F2N2O3/c11-6-2-1-5(3-7(6)12)4-14-9(16)8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17)
InChIKeyBEMJGOKFFKEHPS-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.54
Rot. Bonds2

About 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione

1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 54965624) has the molecular formula C10H6F2N2O3 and a molecular weight of 240.16 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID54965624
Molecular FormulaC10H6F2N2O3
Molecular Weight240.16 g/mol
Exact Mass240.03
IUPAC Name1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C10H6F2N2O3/c11-6-2-1-5(3-7(6)12)4-14-9(16)8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17)
InChIKeyBEMJGOKFFKEHPS-UHFFFAOYSA-N
XLogP0.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione (CID 54965624) is 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is BEMJGOKFFKEHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O3/c11-6-2-1-5(3-7(6)12)4-14-9(16)8(15)13-10(14)17/h1-3H,4H2,(H,13,15,17).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione?
1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 240.16 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 54965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).