(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one

C11H11Br2N3O2 — CID 53338877

IUPAC(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one
SMILESCN1/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)NC1N
InChIInChI=1S/C11H11Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,11,17H,14H2,1H3,(H,15,18)/b8-4-
InChIKeyORUOSRDSZGLUBA-YWEYNIOJSA-N
MW377.04 g/mol
LogP1.56
Rot. Bonds1

About (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one

(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one (PubChem CID 53338877) has the molecular formula C11H11Br2N3O2 and a molecular weight of 377.04 g/mol. Its IUPAC name is (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one
PubChem CID53338877
Molecular FormulaC11H11Br2N3O2
Molecular Weight377.04 g/mol
Exact Mass374.92
IUPAC Name(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one
SMILESCN1/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)NC1N
InChIInChI=1S/C11H11Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,11,17H,14H2,1H3,(H,15,18)/b8-4-
InChIKeyORUOSRDSZGLUBA-YWEYNIOJSA-N
XLogP1.56
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.04
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one?
The IUPAC name of (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one (CID 53338877) is (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one.
What is the SMILES notation for (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one?
The canonical SMILES for (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one is CN1/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)NC1N.
What is the InChIKey of (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one?
The InChIKey is ORUOSRDSZGLUBA-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H11Br2N3O2/c1-16-8(10(18)15-11(16)14)4-5-2-6(12)9(17)7(13)3-5/h2-4,11,17H,14H2,1H3,(H,15,18)/b8-4-.
What are the key properties of (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one?
(5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one has a molecular weight of 377.04 g/mol, XLogP of 1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1-methylimidazolidin-4-one is sourced from PubChem (CID 53338877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).