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

C15H11FN2O2S — CID 2186734

IUPAC(5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H11FN2O2S/c16-12-6-2-1-4-10(12)9-18-14(19)13(17-15(18)20)8-11-5-3-7-21-11/h1-8H,9H2,(H,17,20)/b13-8+
InChIKeyBZZCYJLFNYBIEG-MDWZMJQESA-N
MW302.33 g/mol
LogP2.98
Rot. Bonds3

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

(5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 2186734) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
PubChem CID2186734
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccccc1F
InChIInChI=1S/C15H11FN2O2S/c16-12-6-2-1-4-10(12)9-18-14(19)13(17-15(18)20)8-11-5-3-7-21-11/h1-8H,9H2,(H,17,20)/b13-8+
InChIKeyBZZCYJLFNYBIEG-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'}

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Related Compounds

3-(4-Fluorobenzyl)-5-(2-thienylmethylene)-2,4-imidazolidinedione
CID 900263
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 5418979
(5E)-3-[(2-fluorophenyl)methyl]-5-[(5-methylthiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 751975
(5E)-3-phenyl-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 1815138
3-(3-Methylbenzyl)-5-[(5-methyl-2-thienyl)methylene]-2,4-imidazolidinedione
CID 1815730
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-(thien-2-ylmethyl)acetamide
CID 3236197
N-(4-methylphenyl)-2-[(4E)-4-[(5-methylthiophen-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7326464
2-(3-Benzyl-2-oxoimidazolidin-1-YL)-N-[(thiophen-2-YL)methyl]acetamide
CID 4522322
(E)-N-ethyl-3-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]prop-2-enamide
CID 6212019
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylthiophene-2-carboxamide
CID 8933630

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione (CID 2186734) is (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione is O=C1N/C(=C/c2cccs2)C(=O)N1Cc1ccccc1F.
What is the InChIKey of (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is BZZCYJLFNYBIEG-MDWZMJQESA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-12-6-2-1-4-10(12)9-18-14(19)13(17-15(18)20)8-11-5-3-7-21-11/h1-8H,9H2,(H,17,20)/b13-8+.
What are the key properties of (5E)-3-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione?
(5E)-3-[(2-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-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 2186734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).