(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C22H15BrCl2N2O3 — CID 126256000

IUPAC(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1
InChIInChI=1S/C22H15BrCl2N2O3/c1-12-2-5-15(16(23)8-12)20-7-4-14(30-20)10-19-21(28)27(22(29)26-19)11-13-3-6-17(24)18(25)9-13/h2-10H,11H2,1H3,(H,26,29)/b19-10-
InChIKeyLTCILEFTOTZRBS-GRSHGNNSSA-N
MW506.18 g/mol
LogP6.42
Rot. Bonds4

About (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 126256000) has the molecular formula C22H15BrCl2N2O3 and a molecular weight of 506.18 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID126256000
Molecular FormulaC22H15BrCl2N2O3
Molecular Weight506.18 g/mol
Exact Mass503.96
IUPAC Name(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1
InChIInChI=1S/C22H15BrCl2N2O3/c1-12-2-5-15(16(23)8-12)20-7-4-14(30-20)10-19-21(28)27(22(29)26-19)11-13-3-6-17(24)18(25)9-13/h2-10H,11H2,1H3,(H,26,29)/b19-10-
InChIKeyLTCILEFTOTZRBS-GRSHGNNSSA-N
XLogP6.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.18
LogP ≤ 56.42
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
4-chloro-3-[5-[(E)-[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 126229004
4-[5-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzonitrile
CID 6521608
2-chloro-5-[5-[[1-[(4-methylphenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
CID 3604096
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126244506
2-[(4E)-4-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 2301163
(5E)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2271798
2-[(4Z)-4-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126246679
4-[5-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]-3-methylbenzoic acid
CID 7325155
5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 5225466
(5E)-5-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126237508
(5Z)-3-benzyl-5-[(5-phenylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 126203245

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 126256000) is (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c(Br)c1.
What is the InChIKey of (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is LTCILEFTOTZRBS-GRSHGNNSSA-N. The full InChI is InChI=1S/C22H15BrCl2N2O3/c1-12-2-5-15(16(23)8-12)20-7-4-14(30-20)10-19-21(28)27(22(29)26-19)11-13-3-6-17(24)18(25)9-13/h2-10H,11H2,1H3,(H,26,29)/b19-10-.
What are the key properties of (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
(5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 506.18 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methylidene]-3-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 126256000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).