5-benzyl-2,4-dioxoimidazolidine-1-carboxamide

C11H11N3O3 — CID 70583178

IUPAC5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESNC(=O)N1C(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H11N3O3/c12-10(16)14-8(9(15)13-11(14)17)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,16)(H,13,15,17)
InChIKeyBFORWNNUBPVBMG-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.23
Rot. Bonds2

About 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide

5-benzyl-2,4-dioxoimidazolidine-1-carboxamide (PubChem CID 70583178) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide.

Molecular Properties

Compound Name5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
PubChem CID70583178
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-benzyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESNC(=O)N1C(=O)NC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H11N3O3/c12-10(16)14-8(9(15)13-11(14)17)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,16)(H,13,15,17)
InChIKeyBFORWNNUBPVBMG-UHFFFAOYSA-N
XLogP0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide?
The IUPAC name of 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide (CID 70583178) is 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide.
What is the SMILES notation for 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide?
The canonical SMILES for 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide is NC(=O)N1C(=O)NC(=O)C1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide?
The InChIKey is BFORWNNUBPVBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10(16)14-8(9(15)13-11(14)17)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,16)(H,13,15,17).
What are the key properties of 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide?
5-benzyl-2,4-dioxoimidazolidine-1-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,4-dioxoimidazolidine-1-carboxamide is sourced from PubChem (CID 70583178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).