(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione

C14H9ClN2O2S — CID 2301107

IUPAC(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H9ClN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)/b11-8+
InChIKeyUDZFEEZSGXXYAL-DHZHZOJOSA-N
MW304.76 g/mol
LogP3.50
Rot. Bonds2

About (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione

(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (PubChem CID 2301107) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
PubChem CID2301107
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H9ClN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)/b11-8+
InChIKeyUDZFEEZSGXXYAL-DHZHZOJOSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 53.50
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 (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione (CID 2301107) is (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1c1ccccc1.
What is the InChIKey of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
The InChIKey is UDZFEEZSGXXYAL-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-12-7-6-10(20-12)8-11-13(18)17(14(19)16-11)9-4-2-1-3-5-9/h1-8H,(H,16,19)/b11-8+.
What are the key properties of (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione?
(5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione has a molecular weight of 304.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-chlorothiophen-2-yl)methylidene]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 2301107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).