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

C21H15ClN2O3 — CID 69095941

IUPAC(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2cccc(Oc3ccc(Cl)cc3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-15-9-11-17(12-10-15)27-18-8-4-7-16(13-18)24-19(20(25)23-21(24)26)14-5-2-1-3-6-14/h1-13,19H,(H,23,25,26)/t19-/m0/s1
InChIKeyDHJYOHCOQIDRGJ-IBGZPJMESA-N
MW378.82 g/mol
LogP4.93
Rot. Bonds4

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

(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 69095941) has the molecular formula C21H15ClN2O3 and a molecular weight of 378.82 g/mol. Its IUPAC name is (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione
PubChem CID69095941
Molecular FormulaC21H15ClN2O3
Molecular Weight378.82 g/mol
Exact Mass378.08
IUPAC Name(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1NC(=O)N(c2cccc(Oc3ccc(Cl)cc3)c2)[C@H]1c1ccccc1
InChIInChI=1S/C21H15ClN2O3/c22-15-9-11-17(12-10-15)27-18-8-4-7-16(13-18)24-19(20(25)23-21(24)26)14-5-2-1-3-6-14/h1-13,19H,(H,23,25,26)/t19-/m0/s1
InChIKeyDHJYOHCOQIDRGJ-IBGZPJMESA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-1-[4-(4-chlorophenoxy)phenyl]-3-methyl-5-phenylimidazolidine-2,4-dione
CID 59485595
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-fluorophenyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711733
7-chloro-2-(3-chlorophenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853224
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384485
(5E)-3-(4-chlorophenyl)-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470253
(4Z)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-methylphenyl)-1-(4-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108714374
(5E)-3-(3-chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one
CID 5470273
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
CID 87722066
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242
1-[4-(4-chlorophenoxy)phenyl]-5-(3-hydroxyphenyl)imidazolidin-2-one
CID 68705132
(2S)-2-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-methyl-2H-pyrrol-5-one
CID 888553

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione (CID 69095941) is (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione is O=C1NC(=O)N(c2cccc(Oc3ccc(Cl)cc3)c2)[C@H]1c1ccccc1.
What is the InChIKey of (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is DHJYOHCOQIDRGJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H15ClN2O3/c22-15-9-11-17(12-10-15)27-18-8-4-7-16(13-18)24-19(20(25)23-21(24)26)14-5-2-1-3-6-14/h1-13,19H,(H,23,25,26)/t19-/m0/s1.
What are the key properties of (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione?
(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 378.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 69095941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).