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

C17H15Cl2N3O2 — CID 126198714

IUPAC(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-9-6-11(7-14-16(23)21(3)17(24)20-14)10(2)22(9)15-5-4-12(18)8-13(15)19/h4-8H,1-3H3,(H,20,24)/b14-7+
InChIKeyDGOMELFMCCPIPH-VGOFMYFVSA-N
MW364.23 g/mol
LogP3.92
Rot. Bonds2

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

(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione (PubChem CID 126198714) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
PubChem CID126198714
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
SMILESCc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N3O2/c1-9-6-11(7-14-16(23)21(3)17(24)20-14)10(2)22(9)15-5-4-12(18)8-13(15)19/h4-8H,1-3H3,(H,20,24)/b14-7+
InChIKeyDGOMELFMCCPIPH-VGOFMYFVSA-N
XLogP3.92
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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

(5E)-5-[[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126195965
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 2785417
(5E)-5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126016068
(5E)-3-(3-chlorophenyl)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126074062
(5E)-3-(3-chlorophenyl)-5-[[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126074585
(5E)-5-[[1-[4-[(2-chlorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione
CID 126195451
(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126075954
(5E)-3-(3-chlorophenyl)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 126071464
2-[5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2939433
(5E)-5-[[1-(4-bromo-3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126180727
1-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 806451
(5Z)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 46500101

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione (CID 126198714) is (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione is Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
The InChIKey is DGOMELFMCCPIPH-VGOFMYFVSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-9-6-11(7-14-16(23)21(3)17(24)20-14)10(2)22(9)15-5-4-12(18)8-13(15)19/h4-8H,1-3H3,(H,20,24)/b14-7+.
What are the key properties of (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione?
(5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione has a molecular weight of 364.23 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126198714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).