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

C10H6ClFN2O2 — CID 2913509

IUPAC5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H6ClFN2O2/c11-6-2-1-3-7(12)5(6)4-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)
InChIKeyAMBGAORSDPLOIA-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.66
Rot. Bonds1

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

5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 2913509) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID2913509
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2c(F)cccc2Cl)N1
InChIInChI=1S/C10H6ClFN2O2/c11-6-2-1-3-7(12)5(6)4-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16)
InChIKeyAMBGAORSDPLOIA-UHFFFAOYSA-N
XLogP1.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.66
H-Bond Donors ≤ 52
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)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
CID 697026
(5Z)-5-[(2,6-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 15716902
(5Z)-5-[(2,6-difluorophenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2463851
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
5-[(2-chloro-6-fluorophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 1309269
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(2-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126078723
(3E)-3-[(2-chloro-6-fluorophenyl)methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 955225
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550
2,6-bis[(2-chloro-6-fluorophenyl)methylidene]cyclohexan-1-one
CID 5143813
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245366
4-[(2-chloro-6-fluorophenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
CID 74696440
(5E)-2-[(4-chlorophenyl)methylimino]-5-[(2,6-dichlorophenyl)methylidene]imidazolidin-4-one
CID 135470417

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione (CID 2913509) is 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)C(=Cc2c(F)cccc2Cl)N1.
What is the InChIKey of 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is AMBGAORSDPLOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2/c11-6-2-1-3-7(12)5(6)4-8-9(15)14-10(16)13-8/h1-4H,(H2,13,14,15,16).
What are the key properties of 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 240.62 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 2913509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).