(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione

C19H21N3O2 — CID 6339385

IUPAC(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)21-13(3)10-15(14(21)4)11-17-18(23)22(19(24)20-17)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,20,24)/b17-11+
InChIKeyDQGLNLRLLSVKMR-GZTJUZNOSA-N
MW323.40 g/mol
LogP3.78
Rot. Bonds3

About (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 6339385) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID6339385
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)C
InChIInChI=1S/C19H21N3O2/c1-12(2)21-13(3)10-15(14(21)4)11-17-18(23)22(19(24)20-17)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,20,24)/b17-11+
InChIKeyDQGLNLRLLSVKMR-GZTJUZNOSA-N
XLogP3.78
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 6339385) is (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1C(C)C.
What is the InChIKey of (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is DQGLNLRLLSVKMR-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(2)21-13(3)10-15(14(21)4)11-17-18(23)22(19(24)20-17)16-8-6-5-7-9-16/h5-12H,1-4H3,(H,20,24)/b17-11+.
What are the key properties of (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 6339385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).