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

C18H15ClN2O2 — CID 697530

IUPAC(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C18H15ClN2O2/c1-12-3-2-4-14(9-12)10-16-17(22)21(18(23)20-16)11-13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,23)/b16-10-
InChIKeyTYIHHNCRRQFXLI-YBEGLDIGSA-N
MW326.78 g/mol
LogP3.74
Rot. Bonds3

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

(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 697530) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID697530
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
SMILESCc1cccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C18H15ClN2O2/c1-12-3-2-4-14(9-12)10-16-17(22)21(18(23)20-16)11-13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,23)/b16-10-
InChIKeyTYIHHNCRRQFXLI-YBEGLDIGSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-[(4-chlorophenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]imidazolidine-2,4-dione
CID 1277904
(5Z)-3-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 900295
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126073621
5-[(4-hydroxyphenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 848307
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2339217
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245366
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126246397
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3933086
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 6269109
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6376994
(5E)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253346
(5Z)-5-[(2-chloro-6-fluorophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 5411550

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione (CID 697530) is (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione is Cc1cccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is TYIHHNCRRQFXLI-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-3-2-4-14(9-12)10-16-17(22)21(18(23)20-16)11-13-5-7-15(19)8-6-13/h2-10H,11H2,1H3,(H,20,23)/b16-10-.
What are the key properties of (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 326.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-chlorophenyl)methyl]-5-[(3-methylphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 697530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).