(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

C23H19ClN2O3 — CID 46499254

IUPAC(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12
InChIInChI=1S/C23H19ClN2O3/c1-2-29-21-12-9-16(18-5-3-4-6-19(18)21)13-20-22(27)26(23(28)25-20)14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,28)/b20-13-
InChIKeyUDNRSHXAJVRWBW-MOSHPQCFSA-N
MW406.87 g/mol
LogP4.98
Rot. Bonds5

About (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 46499254) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
PubChem CID46499254
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12
InChIInChI=1S/C23H19ClN2O3/c1-2-29-21-12-9-16(18-5-3-4-6-19(18)21)13-20-22(27)26(23(28)25-20)14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,28)/b20-13-
InChIKeyUDNRSHXAJVRWBW-MOSHPQCFSA-N
XLogP4.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.98
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

(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6524868
2-[(4E)-4-[(4-ethoxynaphthalen-1-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 126208081
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 126114390
5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4657088
3-[(4-chlorophenyl)methyl]-5-[(2,5-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2908653
(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6525391
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
(5E)-3-benzyl-5-[(3-ethoxy-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126199339
(5E)-3-benzyl-5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126212321
(5E)-3-benzyl-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126256401
3-benzyl-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 4076719
(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 126025178

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione (CID 46499254) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12.
What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is UDNRSHXAJVRWBW-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-2-29-21-12-9-16(18-5-3-4-6-19(18)21)13-20-22(27)26(23(28)25-20)14-15-7-10-17(24)11-8-15/h3-13H,2,14H2,1H3,(H,25,28)/b20-13-.
What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 406.87 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 46499254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).