1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione

C11H11N3O3 — CID 43617215

IUPAC1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
SMILESCN(C)c1ccc(N2C(=O)NC(=O)C2=O)cc1
InChIInChI=1S/C11H11N3O3/c1-13(2)7-3-5-8(6-4-7)14-10(16)9(15)12-11(14)17/h3-6H,1-2H3,(H,12,15,17)
InChIKeySGUMMXQQLSOGGP-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.34
Rot. Bonds2

About 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione

1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione (PubChem CID 43617215) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
PubChem CID43617215
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione
SMILESCN(C)c1ccc(N2C(=O)NC(=O)C2=O)cc1
InChIInChI=1S/C11H11N3O3/c1-13(2)7-3-5-8(6-4-7)14-10(16)9(15)12-11(14)17/h3-6H,1-2H3,(H,12,15,17)
InChIKeySGUMMXQQLSOGGP-UHFFFAOYSA-N
XLogP0.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 5009664
(5E)-5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 7345993
4-(2,4,5-trioxoimidazolidin-1-yl)benzonitrile
CID 43131910
1-[4-(dimethylamino)phenyl]-3-methylpyrrole-2,5-dione
CID 43617146
ethyl 4-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
CID 1047650
(5Z)-1-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1347787
7,18-bis[4-(dimethylamino)phenyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58203057
1,3,5-tris[4-(dimethylamino)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 46894310
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1247776
1-(3-chloro-4-methoxyphenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3256358
4-[4-(dimethylamino)phenyl]-3,5-dimethylpiperazine-2,6-dione
CID 82346643
5-[[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1339579

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione (CID 43617215) is 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione is CN(C)c1ccc(N2C(=O)NC(=O)C2=O)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione?
The InChIKey is SGUMMXQQLSOGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-13(2)7-3-5-8(6-4-7)14-10(16)9(15)12-11(14)17/h3-6H,1-2H3,(H,12,15,17).
What are the key properties of 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione?
1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione has a molecular weight of 233.23 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 43617215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).