1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione

C11H9Br2N3O3 — CID 9350913

IUPAC1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCOc1c(Br)cc(Br)cc1/C=N\N1CC(=O)NC1=O
InChIInChI=1S/C11H9Br2N3O3/c1-19-10-6(2-7(12)3-8(10)13)4-14-16-5-9(17)15-11(16)18/h2-4H,5H2,1H3,(H,15,17,18)/b14-4-
InChIKeyBZUFQVIWQJMCBZ-CPSFFCFKSA-N
MW391.02 g/mol
LogP2.11
Rot. Bonds3

About 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione

1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione (PubChem CID 9350913) has the molecular formula C11H9Br2N3O3 and a molecular weight of 391.02 g/mol. Its IUPAC name is 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione
PubChem CID9350913
Molecular FormulaC11H9Br2N3O3
Molecular Weight391.02 g/mol
Exact Mass388.90
IUPAC Name1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione
SMILESCOc1c(Br)cc(Br)cc1/C=N\N1CC(=O)NC1=O
InChIInChI=1S/C11H9Br2N3O3/c1-19-10-6(2-7(12)3-8(10)13)4-14-16-5-9(17)15-11(16)18/h2-4H,5H2,1H3,(H,15,17,18)/b14-4-
InChIKeyBZUFQVIWQJMCBZ-CPSFFCFKSA-N
XLogP2.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.02
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The IUPAC name of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione (CID 9350913) is 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione is COc1c(Br)cc(Br)cc1/C=N\N1CC(=O)NC1=O.
What is the InChIKey of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
The InChIKey is BZUFQVIWQJMCBZ-CPSFFCFKSA-N. The full InChI is InChI=1S/C11H9Br2N3O3/c1-19-10-6(2-7(12)3-8(10)13)4-14-16-5-9(17)15-11(16)18/h2-4H,5H2,1H3,(H,15,17,18)/b14-4-.
What are the key properties of 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione?
1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione has a molecular weight of 391.02 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]imidazolidine-2,4-dione is sourced from PubChem (CID 9350913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).