3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione

C13H14Cl2N2O2 — CID 99797531

IUPAC3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-10-5-4-9(11(15)7-10)3-1-2-6-17-12(18)8-16-13(17)19/h4-5,7H,1-3,6,8H2,(H,16,19)
InChIKeyZPKPMBPZUSXTSE-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.87
Rot. Bonds5

About 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione

3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione (PubChem CID 99797531) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
PubChem CID99797531
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O2/c14-10-5-4-9(11(15)7-10)3-1-2-6-17-12(18)8-16-13(17)19/h4-5,7H,1-3,6,8H2,(H,16,19)
InChIKeyZPKPMBPZUSXTSE-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 62100916
2-(3,4-dichlorophenyl)-N-[3-(2,5-dioxoimidazolidin-1-yl)propyl]acetamide
CID 91642461
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
3-[5-[(7-chloroquinazolin-4-yl)amino]pentyl]imidazolidine-2,4-dione
CID 167200226
3-[[4-(aminomethyl)-2-chlorophenyl]methyl]imidazolidine-2,4-dione
CID 102663211
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9246485
7-(2,4-dichlorophenyl)heptane-1-thiol
CID 10731219
3-[2-[(3-chloro-4-fluorophenyl)methylsulfanyl]ethyl]imidazolidine-2,4-dione
CID 99829710
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
1-[(2,4-dichlorophenyl)methyl]piperidine-2,6-dione
CID 94697420
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione (CID 99797531) is 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione?
The InChIKey is ZPKPMBPZUSXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-10-5-4-9(11(15)7-10)3-1-2-6-17-12(18)8-16-13(17)19/h4-5,7H,1-3,6,8H2,(H,16,19).
What are the key properties of 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione?
3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione has a molecular weight of 301.17 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenyl)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 99797531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).