1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione

C19H17ClN2O4 — CID 9380129

IUPAC1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(CCCOc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-13-3-7-15(8-4-13)22-18(24)17(23)21(19(22)25)11-2-12-26-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3
InChIKeyKNYHZVBVTBSGKB-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.41
Rot. Bonds6

About 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione

1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione (PubChem CID 9380129) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
PubChem CID9380129
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1ccc(N2C(=O)C(=O)N(CCCOc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C19H17ClN2O4/c1-13-3-7-15(8-4-13)22-18(24)17(23)21(19(22)25)11-2-12-26-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3
InChIKeyKNYHZVBVTBSGKB-UHFFFAOYSA-N
XLogP3.41
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione (CID 9380129) is 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione is Cc1ccc(N2C(=O)C(=O)N(CCCOc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
The InChIKey is KNYHZVBVTBSGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-13-3-7-15(8-4-13)22-18(24)17(23)21(19(22)25)11-2-12-26-16-9-5-14(20)6-10-16/h3-10H,2,11-12H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione?
1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione has a molecular weight of 372.81 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-3-(4-methylphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 9380129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).