3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione

C17H11BrCl2N2O2 — CID 1322343

IUPAC3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C17H11BrCl2N2O2/c18-12-4-1-10(2-5-12)9-22-16(23)15(21-17(22)24)7-11-3-6-13(19)8-14(11)20/h1-8H,9H2,(H,21,24)
InChIKeyGBJRUEXSSCWXNB-UHFFFAOYSA-N
MW426.10 g/mol
LogP4.85
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione

3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 1322343) has the molecular formula C17H11BrCl2N2O2 and a molecular weight of 426.10 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
PubChem CID1322343
Molecular FormulaC17H11BrCl2N2O2
Molecular Weight426.10 g/mol
Exact Mass423.94
IUPAC Name3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1NC(=Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C17H11BrCl2N2O2/c18-12-4-1-10(2-5-12)9-22-16(23)15(21-17(22)24)7-11-3-6-13(19)8-14(11)20/h1-8H,9H2,(H,21,24)
InChIKeyGBJRUEXSSCWXNB-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.10
LogP ≤ 54.85
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

3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604
(5E)-5-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126021313
3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2910779
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2269268
(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126261275
(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-ethyl-2-sulfanylideneimidazolidin-4-one
CID 5408416
3-[(4-bromophenyl)methyl]-5-[(4-tert-butylphenyl)methylidene]imidazolidine-2,4-dione
CID 6620738
(5Z)-3-[(4-bromophenyl)methyl]-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 2284911
3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2913448
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6524868
(5E)-5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126247622

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione (CID 1322343) is 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione is O=C1NC(=Cc2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is GBJRUEXSSCWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2/c18-12-4-1-10(2-5-12)9-22-16(23)15(21-17(22)24)7-11-3-6-13(19)8-14(11)20/h1-8H,9H2,(H,21,24).
What are the key properties of 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione?
3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 426.10 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1322343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).