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

C15H11FN2O2S — CID 5400802

IUPAC(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-12-3-1-10(2-4-12)8-18-14(19)13(17-15(18)20)7-11-5-6-21-9-11/h1-7,9H,8H2,(H,17,20)/b13-7-
InChIKeyASHJNZXVABAAPP-QPEQYQDCSA-N
MW302.33 g/mol
LogP2.98
Rot. Bonds3

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

(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 5400802) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
PubChem CID5400802
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H11FN2O2S/c16-12-3-1-10(2-4-12)8-18-14(19)13(17-15(18)20)7-11-5-6-21-9-11/h1-7,9H,8H2,(H,17,20)/b13-7-
InChIKeyASHJNZXVABAAPP-QPEQYQDCSA-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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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione (CID 5400802) is (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is O=C1N/C(=C\c2ccsc2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is ASHJNZXVABAAPP-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c16-12-3-1-10(2-4-12)8-18-14(19)13(17-15(18)20)7-11-5-6-21-9-11/h1-7,9H,8H2,(H,17,20)/b13-7-.
What are the key properties of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione?
(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-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 (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 5400802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).