(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

C16H13BrN2O3 — CID 126244506

IUPAC(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3ccc(Br)o3)C2=O)cc1
InChIInChI=1S/C16H13BrN2O3/c1-10-2-4-11(5-3-10)9-19-15(20)13(18-16(19)21)8-12-6-7-14(17)22-12/h2-8H,9H2,1H3,(H,18,21)/b13-8+
InChIKeyWWWRUOCTOHWDCL-MDWZMJQESA-N
MW361.20 g/mol
LogP3.44
Rot. Bonds3

About (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126244506) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
PubChem CID126244506
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N/C(=C/c3ccc(Br)o3)C2=O)cc1
InChIInChI=1S/C16H13BrN2O3/c1-10-2-4-11(5-3-10)9-19-15(20)13(18-16(19)21)8-12-6-7-14(17)22-12/h2-8H,9H2,1H3,(H,18,21)/b13-8+
InChIKeyWWWRUOCTOHWDCL-MDWZMJQESA-N
XLogP3.44
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.44
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

(5E)-5-[[5-(4-bromo-3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126236673
(5E)-5-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126253792
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 126256000
2-chloro-5-[5-[[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 3604096
4-chloro-3-[5-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 126229004
1-benzyl-5-[(5-bromofuran-2-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1331713
(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248234
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245
5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 3933086
(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6376994

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione (CID 126244506) is (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Br)o3)C2=O)cc1.
What is the InChIKey of (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is WWWRUOCTOHWDCL-MDWZMJQESA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-10-2-4-11(5-3-10)9-19-15(20)13(18-16(19)21)8-12-6-7-14(17)22-12/h2-8H,9H2,1H3,(H,18,21)/b13-8+.
What are the key properties of (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 361.20 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126244506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).