1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea

C15H10Br2I2N4O3 — CID 137138183

IUPAC1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
SMILESO=C(NN=Cc1cc(Br)cc(I)c1O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H10Br2I2N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5-,21-6?
InChIKeyGAVYAYBUPBJGMP-NFUANEKGSA-N
MW707.89 g/mol
LogP4.50
Rot. Bonds4

About 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea

1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea (PubChem CID 137138183) has the molecular formula C15H10Br2I2N4O3 and a molecular weight of 707.89 g/mol. Its IUPAC name is 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
PubChem CID137138183
Molecular FormulaC15H10Br2I2N4O3
Molecular Weight707.89 g/mol
Exact Mass705.72
IUPAC Name1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
SMILESO=C(NN=Cc1cc(Br)cc(I)c1O)N/N=C\c1cc(Br)cc(I)c1O
InChIInChI=1S/C15H10Br2I2N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5-,21-6?
InChIKeyGAVYAYBUPBJGMP-NFUANEKGSA-N
XLogP4.50
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500707.89
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 3450915
[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea
CID 136887163
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-fluorobenzamide
CID 1378674
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570
4-bromo-2-(hydroxyiminomethyl)-6-iodophenol
CID 1494403
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-4-nitrobenzamide
CID 3252277
4-amino-N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 137089066
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 135536280
N-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-methoxybenzamide
CID 137043306
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The IUPAC name of 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea (CID 137138183) is 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea.
What is the SMILES notation for 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The canonical SMILES for 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea is O=C(NN=Cc1cc(Br)cc(I)c1O)N/N=C\c1cc(Br)cc(I)c1O.
What is the InChIKey of 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
The InChIKey is GAVYAYBUPBJGMP-NFUANEKGSA-N. The full InChI is InChI=1S/C15H10Br2I2N4O3/c16-9-1-7(13(24)11(18)3-9)5-20-22-15(26)23-21-6-8-2-10(17)4-12(19)14(8)25/h1-6,24-25H,(H2,22,23,26)/b20-5-,21-6?.
What are the key properties of 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea?
1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea has a molecular weight of 707.89 g/mol, XLogP of 4.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-3-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]urea is sourced from PubChem (CID 137138183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).