1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione

C12H14N2O4 — CID 163217166

IUPAC1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
SMILESCOC1(OC)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O4/c1-17-12(18-2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyOVHAPZAXQNFEEI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.69
Rot. Bonds4

About 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione

1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione (PubChem CID 163217166) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
PubChem CID163217166
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione
SMILESCOC1(OC)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C12H14N2O4/c1-17-12(18-2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16)
InChIKeyOVHAPZAXQNFEEI-UHFFFAOYSA-N
XLogP0.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione?
The IUPAC name of 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione (CID 163217166) is 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione?
The canonical SMILES for 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione is COC1(OC)C(=O)NC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione?
The InChIKey is OVHAPZAXQNFEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-12(18-2)10(15)13-11(16)14(12)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,15,16).
What are the key properties of 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione?
1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,5-dimethoxyimidazolidine-2,4-dione is sourced from PubChem (CID 163217166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).