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

C10H6ClFN2O2 — CID 697026

IUPAC(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2c(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)/b8-4+
InChIKeyAMBGAORSDPLOIA-XBXARRHUSA-N
MW240.62 g/mol
LogP1.66
Rot. Bonds1

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

(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 697026) has the molecular formula C10H6ClFN2O2 and a molecular weight of 240.62 g/mol. Its IUPAC name is (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID697026
Molecular FormulaC10H6ClFN2O2
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2c(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)/b8-4+
InChIKeyAMBGAORSDPLOIA-XBXARRHUSA-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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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione (CID 697026) is (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2c(F)cccc2Cl)N1.
What is the InChIKey of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is AMBGAORSDPLOIA-XBXARRHUSA-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)/b8-4+.
What are the key properties of (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione?
(5E)-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 (5E)-5-[(2-chloro-6-fluorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 697026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).