(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione

C18H19N3O2 — CID 848114

IUPAC(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C
InChIInChI=1S/C18H19N3O2/c1-4-20-12(2)10-14(13(20)3)11-16-17(22)21(18(23)19-16)15-8-6-5-7-9-15/h5-11H,4H2,1-3H3,(H,19,23)/b16-11+
InChIKeyKEUJKDKAKDGXCP-LFIBNONCSA-N
MW309.37 g/mol
LogP3.22
Rot. Bonds3

About (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 848114) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID848114
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C
InChIInChI=1S/C18H19N3O2/c1-4-20-12(2)10-14(13(20)3)11-16-17(22)21(18(23)19-16)15-8-6-5-7-9-15/h5-11H,4H2,1-3H3,(H,19,23)/b16-11+
InChIKeyKEUJKDKAKDGXCP-LFIBNONCSA-N
XLogP3.22
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_F(8)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-((1-allyl-1H-indol-3-yl)methylene)imidazolidine-2,4-dione
CID 930056
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 876371
(5Z)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 1810025
3-[2-Oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4875718
(5E)-5-[(1-isopropyl-1H-indol-3-yl)methylene]imidazolidine-2,4-dione
CID 5733508
4-(3-{[(4E)-2,5-Dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-YL)benzonitrile
CID 6383852
(5Z)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 877783
(5E)-3-(3-chlorophenyl)-5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}imidazolidine-2,4-dione
CID 5737877
5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2,4-imidazolidinedione
CID 695793
(5Z)-5-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1994994
5-[(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 900431
5-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-3-methyl-2-thioxo-4-imidazolidinone
CID 1750903

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 848114) is (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is CCn1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C.
What is the InChIKey of (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is KEUJKDKAKDGXCP-LFIBNONCSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-20-12(2)10-14(13(20)3)11-16-17(22)21(18(23)19-16)15-8-6-5-7-9-15/h5-11H,4H2,1-3H3,(H,19,23)/b16-11+.
What are the key properties of (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 309.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 848114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).