(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

C20H19N3O2 — CID 2174599

IUPAC(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19-18(21-20(25)23(19)17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2,(H,21,25)/b18-14+
InChIKeyPHFMDOMNZUSADB-NBVRZTHBSA-N
MW333.39 g/mol
LogP3.38
Rot. Bonds3

About (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2174599) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2174599
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H19N3O2/c24-19-18(21-20(25)23(19)17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2,(H,21,25)/b18-14+
InChIKeyPHFMDOMNZUSADB-NBVRZTHBSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', '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)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione (CID 2174599) is (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is PHFMDOMNZUSADB-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19-18(21-20(25)23(19)17-6-2-1-3-7-17)14-15-8-10-16(11-9-15)22-12-4-5-13-22/h1-3,6-11,14H,4-5,12-13H2,(H,21,25)/b18-14+.
What are the key properties of (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-phenyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2174599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).