(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione

C11H10N2O2 — CID 15716901

IUPAC(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)/C1=C\c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14,15)/b9-7+
InChIKeyKTEHTGGNHJQFHF-VQHVLOKHSA-N
MW202.21 g/mol
LogP1.21
Rot. Bonds1

About (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione

(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione (PubChem CID 15716901) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione
PubChem CID15716901
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione
SMILESCN1C(=O)NC(=O)/C1=C\c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14,15)/b9-7+
InChIKeyKTEHTGGNHJQFHF-VQHVLOKHSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione (CID 15716901) is (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione is CN1C(=O)NC(=O)/C1=C\c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione?
The InChIKey is KTEHTGGNHJQFHF-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-9(10(14)12-11(13)15)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14,15)/b9-7+.
What are the key properties of (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione?
(5E)-5-benzylidene-1-methylimidazolidine-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 15716901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).