(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

C17H18BrN3O4 — CID 16633003

IUPAC(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)N1CCCCC1
InChIInChI=1S/C17H18BrN3O4/c18-12-4-5-14(22)11(8-12)9-13-16(24)21(17(25)19-13)10-15(23)20-6-2-1-3-7-20/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,25)/b13-9-
InChIKeyAKNSSSFCRWTLDJ-LCYFTJDESA-N
MW408.25 g/mol
LogP2.06
Rot. Bonds3

About (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione

(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 16633003) has the molecular formula C17H18BrN3O4 and a molecular weight of 408.25 g/mol. Its IUPAC name is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
PubChem CID16633003
Molecular FormulaC17H18BrN3O4
Molecular Weight408.25 g/mol
Exact Mass407.05
IUPAC Name(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)N1CCCCC1
InChIInChI=1S/C17H18BrN3O4/c18-12-4-5-14(22)11(8-12)9-13-16(24)21(17(25)19-13)10-15(23)20-6-2-1-3-7-20/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,25)/b13-9-
InChIKeyAKNSSSFCRWTLDJ-LCYFTJDESA-N
XLogP2.06
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione (CID 16633003) is (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is O=C(CN1C(=O)N/C(=C\c2cc(Br)ccc2O)C1=O)N1CCCCC1.
What is the InChIKey of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
The InChIKey is AKNSSSFCRWTLDJ-LCYFTJDESA-N. The full InChI is InChI=1S/C17H18BrN3O4/c18-12-4-5-14(22)11(8-12)9-13-16(24)21(17(25)19-13)10-15(23)20-6-2-1-3-7-20/h4-5,8-9,22H,1-3,6-7,10H2,(H,19,25)/b13-9-.
What are the key properties of (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione?
(5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 408.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-bromo-2-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 16633003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).