(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione

C15H11FN2O2S — CID 900263

IUPAC(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-18-14(19)13(17-15(18)20)8-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)/b13-8+
InChIKeyCBXSUSDOVAZMAR-MDWZMJQESA-N
MW302.33 g/mol
LogP2.98
Rot. Bonds3

About (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione

(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 900263) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
PubChem CID900263
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-18-14(19)13(17-15(18)20)8-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)/b13-8+
InChIKeyCBXSUSDOVAZMAR-MDWZMJQESA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione (CID 900263) is (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione is O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is CBXSUSDOVAZMAR-MDWZMJQESA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-11-5-3-10(4-6-11)9-18-14(19)13(17-15(18)20)8-12-2-1-7-21-12/h1-8H,9H2,(H,17,20)/b13-8+.
What are the key properties of (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
(5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 302.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 900263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).