(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione

C12H13N3O2 — CID 745258

IUPAC(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)/b10-7+
InChIKeyKLVRHZIOWMWJOC-JXMROGBWSA-N
MW231.25 g/mol
LogP0.93
Rot. Bonds2

About (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 745258) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID745258
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1
InChIInChI=1S/C12H13N3O2/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)/b10-7+
InChIKeyKLVRHZIOWMWJOC-JXMROGBWSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(dimethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2829176
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3930330
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 135784382
(5E,6Z)-5-[[4-(dimethylamino)phenyl]methylidene]-6-hydrazinylidene-1,3-diazinane-2,4-dione
CID 136646629
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 50853485
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazolidine-2,4-dione
CID 70294018
(3E)-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolidine-2,5-dione
CID 44627216

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione (CID 745258) is (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione is CN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1.
What is the InChIKey of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is KLVRHZIOWMWJOC-JXMROGBWSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15(2)9-5-3-8(4-6-9)7-10-11(16)14-12(17)13-10/h3-7H,1-2H3,(H2,13,14,16,17)/b10-7+.
What are the key properties of (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 745258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).