5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione

C21H15ClN2O2 — CID 11631924

IUPAC5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H15ClN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H
InChIKeyRPBVVKHIJDHJOE-UHFFFAOYSA-N
MW362.82 g/mol
LogP5.05
Rot. Bonds3

About 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione

5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione (PubChem CID 11631924) has the molecular formula C21H15ClN2O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione
PubChem CID11631924
Molecular FormulaC21H15ClN2O2
Molecular Weight362.82 g/mol
Exact Mass362.08
IUPAC Name5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione
SMILESO=C1C(c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H15ClN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H
InChIKeyRPBVVKHIJDHJOE-UHFFFAOYSA-N
XLogP5.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.82
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione (CID 11631924) is 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione is O=C1C(c2ccc(Cl)cc2)N(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione?
The InChIKey is RPBVVKHIJDHJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2/c22-16-13-11-15(12-14-16)19-20(25)24(18-9-5-2-6-10-18)21(26)23(19)17-7-3-1-4-8-17/h1-14,19H.
What are the key properties of 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione has a molecular weight of 362.82 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 11631924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).