2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid

C12H9ClN2O5 — CID 10637711

IUPAC2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H9ClN2O5/c13-8-3-1-2-7(4-8)5-14-10(18)11(19)15(12(14)20)6-9(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeyZXBKZFKJZYLRIU-UHFFFAOYSA-N
MW296.67 g/mol
LogP0.72
Rot. Bonds4

About 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid

2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid (PubChem CID 10637711) has the molecular formula C12H9ClN2O5 and a molecular weight of 296.67 g/mol. Its IUPAC name is 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
PubChem CID10637711
Molecular FormulaC12H9ClN2O5
Molecular Weight296.67 g/mol
Exact Mass296.02
IUPAC Name2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid
SMILESO=C(O)CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C12H9ClN2O5/c13-8-3-1-2-7(4-8)5-14-10(18)11(19)15(12(14)20)6-9(16)17/h1-4H,5-6H2,(H,16,17)
InChIKeyZXBKZFKJZYLRIU-UHFFFAOYSA-N
XLogP0.72
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid (CID 10637711) is 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid is O=C(O)CN1C(=O)C(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
The InChIKey is ZXBKZFKJZYLRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O5/c13-8-3-1-2-7(4-8)5-14-10(18)11(19)15(12(14)20)6-9(16)17/h1-4H,5-6H2,(H,16,17).
What are the key properties of 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid?
2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid has a molecular weight of 296.67 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chlorophenyl)methyl]-2,4,5-trioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 10637711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).