1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione

C10H9N3O2 — CID 2751742

IUPAC1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)C1=Cc1ccncc1
InChIInChI=1S/C10H9N3O2/c1-13-8(9(14)12-10(13)15)6-7-2-4-11-5-3-7/h2-6H,1H3,(H,12,14,15)
InChIKeyRONCELJTPMKJKA-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.60
Rot. Bonds1

About 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione

1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 2751742) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
PubChem CID2751742
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)C1=Cc1ccncc1
InChIInChI=1S/C10H9N3O2/c1-13-8(9(14)12-10(13)15)6-7-2-4-11-5-3-7/h2-6H,1H3,(H,12,14,15)
InChIKeyRONCELJTPMKJKA-UHFFFAOYSA-N
XLogP0.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione (CID 2751742) is 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione is CN1C(=O)NC(=O)C1=Cc1ccncc1.
What is the InChIKey of 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is RONCELJTPMKJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-13-8(9(14)12-10(13)15)6-7-2-4-11-5-3-7/h2-6H,1H3,(H,12,14,15).
What are the key properties of 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione?
1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 2751742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).