1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea

C15H12Br2N4O3 — CID 136870132

IUPAC1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C\c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7-,19-8-
InChIKeyUXBYQJIQRYVDEN-DZWUWFSDSA-N
MW456.09 g/mol
LogP3.29
Rot. Bonds4

About 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea

1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea (PubChem CID 136870132) has the molecular formula C15H12Br2N4O3 and a molecular weight of 456.09 g/mol. Its IUPAC name is 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
PubChem CID136870132
Molecular FormulaC15H12Br2N4O3
Molecular Weight456.09 g/mol
Exact Mass453.93
IUPAC Name1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
SMILESO=C(N/N=C\c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O
InChIInChI=1S/C15H12Br2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7-,19-8-
InChIKeyUXBYQJIQRYVDEN-DZWUWFSDSA-N
XLogP3.29
TPSA106.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.09
LogP ≤ 53.29
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 135521536
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4-fluorobenzamide
CID 771428
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzamide
CID 136766998
2-bromo-N-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 4135115
[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
CID 136700893
4-amino-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576312
N-(4-acetamidophenyl)-N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4578192
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-5-chloro-2-hydroxybenzamide
CID 135615369
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-tert-butylbenzamide
CID 135604314
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]hexanamide
CID 3623985
N-(4-acetamidophenyl)-N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 135606590

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The IUPAC name of 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea (CID 136870132) is 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The canonical SMILES for 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea is O=C(N/N=C\c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O.
What is the InChIKey of 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
The InChIKey is UXBYQJIQRYVDEN-DZWUWFSDSA-N. The full InChI is InChI=1S/C15H12Br2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7-,19-8-.
What are the key properties of 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea?
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea has a molecular weight of 456.09 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea is sourced from PubChem (CID 136870132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).