1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione

C20H15Cl2N3O3 — CID 43022143

IUPAC1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(Cc2ncc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-12-19(26)24(20(27)25(12)16-7-5-14(21)6-8-16)11-18-23-10-17(28-18)13-3-2-4-15(22)9-13/h2-10,12H,11H2,1H3
InChIKeyJGGQEZQQCDFDFD-UHFFFAOYSA-N
MW416.26 g/mol
LogP5.01
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione

1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 43022143) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID43022143
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1C(=O)N(Cc2ncc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-12-19(26)24(20(27)25(12)16-7-5-14(21)6-8-16)11-18-23-10-17(28-18)13-3-2-4-15(22)9-13/h2-10,12H,11H2,1H3
InChIKeyJGGQEZQQCDFDFD-UHFFFAOYSA-N
XLogP5.01
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 43022143) is 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is CC1C(=O)N(Cc2ncc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JGGQEZQQCDFDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c1-12-19(26)24(20(27)25(12)16-7-5-14(21)6-8-16)11-18-23-10-17(28-18)13-3-2-4-15(22)9-13/h2-10,12H,11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 416.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43022143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).