(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione

C19H19N3O2 — CID 25185444

IUPAC(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)20-19(24)22(17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23,24)/b17-12+
InChIKeyMARVQUPYNMUVAM-SFQUDFHCSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds4

About (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione

(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 25185444) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
PubChem CID25185444
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
SMILESCN(C)c1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O2/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)20-19(24)22(17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23,24)/b17-12+
InChIKeyMARVQUPYNMUVAM-SFQUDFHCSA-N
XLogP2.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione (CID 25185444) is (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione is CN(C)c1ccc(/C=C2\C(=O)NC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is MARVQUPYNMUVAM-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21(2)16-10-8-14(9-11-16)12-17-18(23)20-19(24)22(17)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,20,23,24)/b17-12+.
What are the key properties of (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione?
(5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 25185444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).