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

C23H21N3O2 — CID 2927907

IUPAC5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(C=C2NC(=O)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-16-13-19(17(2)25(16)15-18-9-5-3-6-10-18)14-21-22(27)26(23(28)24-21)20-11-7-4-8-12-20/h3-14H,15H2,1-2H3,(H,24,28)
InChIKeyUIMDIVVGYMLARP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.25
Rot. Bonds4

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

5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2927907) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2927907
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(C=C2NC(=O)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1
InChIInChI=1S/C23H21N3O2/c1-16-13-19(17(2)25(16)15-18-9-5-3-6-10-18)14-21-22(27)26(23(28)24-21)20-11-7-4-8-12-20/h3-14H,15H2,1-2H3,(H,24,28)
InChIKeyUIMDIVVGYMLARP-UHFFFAOYSA-N
XLogP4.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.25
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

(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 848115
(5E)-3-(3-chlorophenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 889426
(5E)-3-(4-chlorophenyl)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 838584
(5E)-5-[[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126017335
(5E)-5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenylimidazolidine-2,4-dione
CID 126016068
4-[3-[(E)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 6382538
ethyl 3-[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 988609
(5E)-3-(3-chlorophenyl)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 126071464
(5E)-5-[(1-tert-butyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-(4-chlorophenyl)imidazolidine-2,4-dione
CID 126174616
(5E)-3-(3-chlorophenyl)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126074062
(5Z)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 46500101
(5E)-3-(3-chlorophenyl)-5-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 126101708

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2927907) is 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is Cc1cc(C=C2NC(=O)N(c3ccccc3)C2=O)c(C)n1Cc1ccccc1.
What is the InChIKey of 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is UIMDIVVGYMLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-13-19(17(2)25(16)15-18-9-5-3-6-10-18)14-21-22(27)26(23(28)24-21)20-11-7-4-8-12-20/h3-14H,15H2,1-2H3,(H,24,28).
What are the key properties of 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2927907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).