5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

C18H17N3O3 — CID 152763908

IUPAC5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=NO)c1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12(20-24)14-7-9-15(10-8-14)21-17(22)16(19-18(21)23)11-13-5-3-2-4-6-13/h2-10,16,24H,11H2,1H3,(H,19,23)
InChIKeyZYFSHUWYHDJYKO-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.55
Rot. Bonds4

About 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione

5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (PubChem CID 152763908) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
PubChem CID152763908
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
SMILESCC(=NO)c1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-12(20-24)14-7-9-15(10-8-14)21-17(22)16(19-18(21)23)11-13-5-3-2-4-6-13/h2-10,16,24H,11H2,1H3,(H,19,23)
InChIKeyZYFSHUWYHDJYKO-UHFFFAOYSA-N
XLogP2.55
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione (CID 152763908) is 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is CC(=NO)c1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is ZYFSHUWYHDJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12(20-24)14-7-9-15(10-8-14)21-17(22)16(19-18(21)23)11-13-5-3-2-4-6-13/h2-10,16,24H,11H2,1H3,(H,19,23).
What are the key properties of 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione?
5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 152763908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).