(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione

C19H17BrN2O4 — CID 6525391

IUPAC(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O
InChIInChI=1S/C19H17BrN2O4/c1-2-26-16-5-3-4-13(17(16)23)10-15-18(24)22(19(25)21-15)11-12-6-8-14(20)9-7-12/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-10-
InChIKeyCJBNVICIHQJETE-GDNBJRDFSA-N
MW417.26 g/mol
LogP3.65
Rot. Bonds5

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

(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 6525391) has the molecular formula C19H17BrN2O4 and a molecular weight of 417.26 g/mol. Its IUPAC name is (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID6525391
Molecular FormulaC19H17BrN2O4
Molecular Weight417.26 g/mol
Exact Mass416.04
IUPAC Name(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCCOc1cccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O
InChIInChI=1S/C19H17BrN2O4/c1-2-26-16-5-3-4-13(17(16)23)10-15-18(24)22(19(25)21-15)11-12-6-8-14(20)9-7-12/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-10-
InChIKeyCJBNVICIHQJETE-GDNBJRDFSA-N
XLogP3.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(5-bromo-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 4657088
3-[(4-bromophenyl)methyl]-5-[(3,5-dichloro-4-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2910779
(5Z)-5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]imidazolidine-2,4-dione
CID 2269268
(5E)-5-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126247622
(5E)-5-[(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126021636
(5Z)-3-[(4-chlorophenyl)methyl]-5-[(4-ethoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
CID 46499254
3-[(4-bromophenyl)methyl]-5-[(4-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 3656604
(5E)-5-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126245835
(5E)-5-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 126017980
(5Z)-5-[(5-chloro-2-ethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 6524868
3-[(4-bromophenyl)methyl]-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2913448
ethyl 2-[4-[[1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-chloro-6-ethoxyphenoxy]acetate
CID 3421212

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione (CID 6525391) is (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is CCOc1cccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O.
What is the InChIKey of (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is CJBNVICIHQJETE-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H17BrN2O4/c1-2-26-16-5-3-4-13(17(16)23)10-15-18(24)22(19(25)21-15)11-12-6-8-14(20)9-7-12/h3-10,23H,2,11H2,1H3,(H,21,25)/b15-10-.
What are the key properties of (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 417.26 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-bromophenyl)methyl]-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 6525391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).