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

C15H19N3O3 — CID 6282093

IUPAC(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-4-18(5-2)11-7-6-10(13(9-11)21-3)8-12-14(19)17-15(20)16-12/h6-9H,4-5H2,1-3H3,(H2,16,17,19,20)/b12-8+
InChIKeyWBJSGYLUILWDEM-XYOKQWHBSA-N
MW289.34 g/mol
LogP1.72
Rot. Bonds5

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

(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione (PubChem CID 6282093) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione
PubChem CID6282093
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione
SMILESCCN(CC)c1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1
InChIInChI=1S/C15H19N3O3/c1-4-18(5-2)11-7-6-10(13(9-11)21-3)8-12-14(19)17-15(20)16-12/h6-9H,4-5H2,1-3H3,(H2,16,17,19,20)/b12-8+
InChIKeyWBJSGYLUILWDEM-XYOKQWHBSA-N
XLogP1.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

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CID 2524808
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CID 3231721
CID 3231721
CID 3648768
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CID 4880239
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CID 16632770
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CID 52946711
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CID 52948962
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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione (CID 6282093) is (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione is CCN(CC)c1ccc(/C=C2/NC(=O)NC2=O)c(OC)c1.
What is the InChIKey of (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
The InChIKey is WBJSGYLUILWDEM-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-18(5-2)11-7-6-10(13(9-11)21-3)8-12-14(19)17-15(20)16-12/h6-9H,4-5H2,1-3H3,(H2,16,17,19,20)/b12-8+.
What are the key properties of (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione?
(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6282093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).