(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione

C22H17ClN2O3 — CID 59485595

IUPAC(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@H](c2ccccc2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C22H17ClN2O3/c1-24-21(26)20(15-5-3-2-4-6-15)25(22(24)27)17-9-13-19(14-10-17)28-18-11-7-16(23)8-12-18/h2-14,20H,1H3/t20-/m0/s1
InChIKeyVKTXACGECOYPRZ-FQEVSTJZSA-N
MW392.84 g/mol
LogP5.27
Rot. Bonds4

About (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione

(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 59485595) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID59485595
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione
SMILESCN1C(=O)[C@H](c2ccccc2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O
InChIInChI=1S/C22H17ClN2O3/c1-24-21(26)20(15-5-3-2-4-6-15)25(22(24)27)17-9-13-19(14-10-17)28-18-11-7-16(23)8-12-18/h2-14,20H,1H3/t20-/m0/s1
InChIKeyVKTXACGECOYPRZ-FQEVSTJZSA-N
XLogP5.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione (CID 59485595) is (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione is CN1C(=O)[C@H](c2ccccc2)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O.
What is the InChIKey of (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is VKTXACGECOYPRZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-24-21(26)20(15-5-3-2-4-6-15)25(22(24)27)17-9-13-19(14-10-17)28-18-11-7-16(23)8-12-18/h2-14,20H,1H3/t20-/m0/s1.
What are the key properties of (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 392.84 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 59485595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).