(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione

C16H13ClN2O2 — CID 154708544

IUPAC(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-11-15(20)19(14-9-7-12(17)8-10-14)16(21)18(11)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m0/s1
InChIKeyMZHLASDIRDXOKV-NSHDSACASA-N
MW300.75 g/mol
LogP3.70
Rot. Bonds2

About (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione

(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione (PubChem CID 154708544) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
PubChem CID154708544
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione
SMILESC[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C16H13ClN2O2/c1-11-15(20)19(14-9-7-12(17)8-10-14)16(21)18(11)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m0/s1
InChIKeyMZHLASDIRDXOKV-NSHDSACASA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.70
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 (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione (CID 154708544) is (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione is C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is MZHLASDIRDXOKV-NSHDSACASA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11-15(20)19(14-9-7-12(17)8-10-14)16(21)18(11)13-5-3-2-4-6-13/h2-11H,1H3/t11-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione?
(5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 300.75 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-methyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 154708544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).