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

C14H17N3O2 — CID 3930330

IUPAC5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(C=C2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)
InChIKeyQSFFDFDTLWXQFV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds4

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

5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 3930330) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID3930330
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(C=C2NC(=O)NC2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)
InChIKeyQSFFDFDTLWXQFV-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
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 5-[[4-(diethylamino)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

(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
(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
(5Z)-5-[(4-propoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 11253625
N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
CID 6378980
(5Z)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5400787
(5E)-3-(3-chloropropyl)-5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 118050435
(5E)-3-cyclopropyl-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 19548618
1-tert-butyl-5-[[4-(diethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1375989
(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137239593

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione (CID 3930330) is 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione is CCN(CC)c1ccc(C=C2NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is QSFFDFDTLWXQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 3930330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).