3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione

C18H17ClN2O3 — CID 84571309

IUPAC3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-9-15(10-8-14)24-12-4-11-21-17(22)16(20-18(21)23)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2,(H,20,23)
InChIKeyHVFSGEIGYSYENM-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.40
Rot. Bonds6

About 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione

3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 84571309) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
PubChem CID84571309
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)C(=O)N1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-9-15(10-8-14)24-12-4-11-21-17(22)16(20-18(21)23)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2,(H,20,23)
InChIKeyHVFSGEIGYSYENM-UHFFFAOYSA-N
XLogP3.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
CID 84571229
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
CID 139776325
4-[4-[3-(2,5-dioxo-4-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620403
3-(2-naphthalen-1-yloxyethyl)-5-phenylimidazolidine-2,4-dione
CID 84571228
butyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 84572142
N-(4-chlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 84571668
2-[4-(4-chlorophenoxy)butyl]isoindole-1,3-dione
CID 2296874
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
3'-[3-(4-chlorophenoxy)propyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16571105
3-[(2,6-dichlorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 84573203
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione (CID 84571309) is 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione is O=C1NC(c2ccccc2)C(=O)N1CCCOc1ccc(Cl)cc1.
What is the InChIKey of 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is HVFSGEIGYSYENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-7-9-15(10-8-14)24-12-4-11-21-17(22)16(20-18(21)23)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2,(H,20,23).
What are the key properties of 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione?
3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 344.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 84571309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).