5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

C16H9Cl2FN2O2 — CID 1309269

IUPAC5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(F)cccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-3-1-4-10(7-9)21-15(22)14(20-16(21)23)8-11-12(18)5-2-6-13(11)19/h1-8H,(H,20,23)
InChIKeyZKJWMLCQTZFINQ-UHFFFAOYSA-N
MW351.16 g/mol
LogP4.23
Rot. Bonds2

About 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione

5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (PubChem CID 1309269) has the molecular formula C16H9Cl2FN2O2 and a molecular weight of 351.16 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
PubChem CID1309269
Molecular FormulaC16H9Cl2FN2O2
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2c(F)cccc2Cl)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2FN2O2/c17-9-3-1-4-10(7-9)21-15(22)14(20-16(21)23)8-11-12(18)5-2-6-13(11)19/h1-8H,(H,20,23)
InChIKeyZKJWMLCQTZFINQ-UHFFFAOYSA-N
XLogP4.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(5E)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 751927
(5Z)-3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 2190076
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
(5E)-3-(3-chlorophenyl)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126074062
(5Z)-3-(3-chlorophenyl)-5-[(5-chlorothiophen-2-yl)methylidene]imidazolidine-2,4-dione
CID 5415849
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5Z)-3-(3-chlorophenyl)-5-(thiophen-3-ylmethylidene)imidazolidine-2,4-dione
CID 5400771
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
3-(3-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 2938312
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 2188490

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione (CID 1309269) is 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is O=C1NC(=Cc2c(F)cccc2Cl)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
The InChIKey is ZKJWMLCQTZFINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O2/c17-9-3-1-4-10(7-9)21-15(22)14(20-16(21)23)8-11-12(18)5-2-6-13(11)19/h1-8H,(H,20,23).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione?
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione has a molecular weight of 351.16 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 1309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).