(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

C17H12BrClN2O3 — CID 126261275

IUPAC(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H12BrClN2O3/c18-12-6-11(15(22)13(19)8-12)7-14-16(23)21(17(24)20-14)9-10-4-2-1-3-5-10/h1-8,22H,9H2,(H,20,24)/b14-7-
InChIKeyXVZPLVKXORUSEX-AUWJEWJLSA-N
MW407.65 g/mol
LogP3.90
Rot. Bonds3

About (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 126261275) has the molecular formula C17H12BrClN2O3 and a molecular weight of 407.65 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID126261275
Molecular FormulaC17H12BrClN2O3
Molecular Weight407.65 g/mol
Exact Mass405.97
IUPAC Name(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESO=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H12BrClN2O3/c18-12-6-11(15(22)13(19)8-12)7-14-16(23)21(17(24)20-14)9-10-4-2-1-3-5-10/h1-8,22H,9H2,(H,20,24)/b14-7-
InChIKeyXVZPLVKXORUSEX-AUWJEWJLSA-N
XLogP3.90
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.65
LogP ≤ 53.90
H-Bond Donors ≤ 52
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-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126248234
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2269268
(5E)-3-benzyl-5-[(3-bromo-4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126213828
(5E)-3-benzyl-5-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126256401
3-[(4-bromophenyl)methyl]-5-[(2,4-dichlorophenyl)methylidene]imidazolidine-2,4-dione
CID 1322343
(5E)-5-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126250762
3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2913448
(5E)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione
CID 126146104
(5E)-5-[(2-bromophenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126249726
5-[[3-(azepan-1-ylmethyl)-2-hydroxyphenyl]methylidene]-3-benzylimidazolidine-2,4-dione;hydrochloride
CID 139705073
(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 6525391
2-[4-[(Z)-(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-dibromophenoxy]acetic acid
CID 5453170

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 126261275) is (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is O=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is XVZPLVKXORUSEX-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H12BrClN2O3/c18-12-6-11(15(22)13(19)8-12)7-14-16(23)21(17(24)20-14)9-10-4-2-1-3-5-10/h1-8,22H,9H2,(H,20,24)/b14-7-.
What are the key properties of (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 407.65 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126261275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).