(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione

C24H19ClN2O3 — CID 6383605

IUPAC(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O3/c25-20-10-6-18(7-11-20)15-27-23(28)22(26-24(27)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,26,29)/b22-14+
InChIKeyKLIISPIJXODJBI-HYARGMPZSA-N
MW418.88 g/mol
LogP5.01
Rot. Bonds6

About (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione

(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6383605) has the molecular formula C24H19ClN2O3 and a molecular weight of 418.88 g/mol. Its IUPAC name is (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6383605
Molecular FormulaC24H19ClN2O3
Molecular Weight418.88 g/mol
Exact Mass418.11
IUPAC Name(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C24H19ClN2O3/c25-20-10-6-18(7-11-20)15-27-23(28)22(26-24(27)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,26,29)/b22-14+
InChIKeyKLIISPIJXODJBI-HYARGMPZSA-N
XLogP5.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126243860
methyl 5-[[4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]methyl]furan-2-carboxylate
CID 5035524
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252150
(5E)-5-[[4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126259753
(5E)-3-benzyl-5-[(3-iodo-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126240929
(5E)-5-[(4-butan-2-yloxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6394403
(5E)-3-benzyl-5-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126213334
(5E)-3-[(2-fluorophenyl)methyl]-5-[[4-(naphthalen-2-ylmethoxy)phenyl]methylidene]imidazolidine-2,4-dione
CID 126073883
5-[(4-phenylmethoxyphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 4167282
(5E)-3-benzyl-5-[[3,5-diiodo-4-[(4-iodophenyl)methoxy]phenyl]methylidene]imidazolidine-2,4-dione
CID 126244261

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 6383605) is (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1.
What is the InChIKey of (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is KLIISPIJXODJBI-HYARGMPZSA-N. The full InChI is InChI=1S/C24H19ClN2O3/c25-20-10-6-18(7-11-20)15-27-23(28)22(26-24(27)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,26,29)/b22-14+.
What are the key properties of (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 418.88 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(4-chlorophenyl)methyl]-5-[(4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6383605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).