1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione

C9H6ClIN2O2 — CID 107640384

IUPAC1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Cl)cc2I)C(=O)N1
InChIInChI=1S/C9H6ClIN2O2/c10-5-1-2-7(6(11)3-5)13-4-8(14)12-9(13)15/h1-3H,4H2,(H,12,14,15)
InChIKeyLFMQUDGRZRNFDV-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.00
Rot. Bonds1

About 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione

1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione (PubChem CID 107640384) has the molecular formula C9H6ClIN2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
PubChem CID107640384
Molecular FormulaC9H6ClIN2O2
Molecular Weight336.52 g/mol
Exact Mass335.92
IUPAC Name1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Cl)cc2I)C(=O)N1
InChIInChI=1S/C9H6ClIN2O2/c10-5-1-2-7(6(11)3-5)13-4-8(14)12-9(13)15/h1-3H,4H2,(H,12,14,15)
InChIKeyLFMQUDGRZRNFDV-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methylphenyl)imidazolidine-2,4-dione
CID 15382317
4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107640300
10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 107640265
1-(4-chlorophenyl)imidazolidine-2,4-dione;ethane
CID 177019108
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
5-(4-chloro-2-iodophenyl)-5-azaspiro[2.3]hexane
CID 107641028
1-(2,4-dibromophenyl)imidazolidine-2,4-dione
CID 79777774
4-(2,5-dichlorophenyl)piperazine-2,6-dione
CID 63787851
3-(4-chloro-2-iodophenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107640940
3-(4-chloro-2-iodophenyl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 107640934
1-(4-chloro-2-iodophenyl)azepane
CID 107641046

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione (CID 107640384) is 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione is O=C1CN(c2ccc(Cl)cc2I)C(=O)N1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione?
The InChIKey is LFMQUDGRZRNFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O2/c10-5-1-2-7(6(11)3-5)13-4-8(14)12-9(13)15/h1-3H,4H2,(H,12,14,15).
What are the key properties of 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione?
1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione has a molecular weight of 336.52 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 107640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).