(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione

C18H14N2O3 — CID 177488195

IUPAC(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N/C(=C/c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H14N2O3/c21-16(14-9-5-2-6-10-14)12-20-17(22)15(19-18(20)23)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,23)/b15-11+
InChIKeyGDCIGNLKAJEPPN-RVDMUPIBSA-N
MW306.32 g/mol
LogP2.46
Rot. Bonds4

About (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione

(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione (PubChem CID 177488195) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione
PubChem CID177488195
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N/C(=C/c2ccccc2)C1=O)c1ccccc1
InChIInChI=1S/C18H14N2O3/c21-16(14-9-5-2-6-10-14)12-20-17(22)15(19-18(20)23)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,23)/b15-11+
InChIKeyGDCIGNLKAJEPPN-RVDMUPIBSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4E)-4-[(4-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124664677
2-[4-[(4-methylphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 78415108
(5E)-5-benzylidene-3-phenacyl-1,3-thiazolidine-2,4-dione
CID 7368541
2-[(4E)-4-[(2-bromophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 124661169
4-[(E)-[1-(carboxylatomethyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]benzoate
CID 7457869
2-[4-[(4-cyanophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 54409679
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 19256098
ethyl 4-[[2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 16632824
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-[4-[[4-(4-chlorophenyl)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 77425794
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-(4-fluorophenyl)benzamide
CID 18873943

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione (CID 177488195) is (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione is O=C(CN1C(=O)N/C(=C/c2ccccc2)C1=O)c1ccccc1.
What is the InChIKey of (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione?
The InChIKey is GDCIGNLKAJEPPN-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16(14-9-5-2-6-10-14)12-20-17(22)15(19-18(20)23)11-13-7-3-1-4-8-13/h1-11H,12H2,(H,19,23)/b15-11+.
What are the key properties of (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione?
(5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 177488195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).