4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide

C11H11BrN4O — CID 114904167

IUPAC4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1nccn1-c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C11H11BrN4O/c1-7-14-4-5-16(7)10-6-8(12)2-3-9(10)11(13)15-17/h2-6,17H,1H3,(H2,13,15)
InChIKeyGSZFFYGLSHTKKR-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.04
Rot. Bonds2

About 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide

4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide (PubChem CID 114904167) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
PubChem CID114904167
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1nccn1-c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C11H11BrN4O/c1-7-14-4-5-16(7)10-6-8(12)2-3-9(10)11(13)15-17/h2-6,17H,1H3,(H2,13,15)
InChIKeyGSZFFYGLSHTKKR-UHFFFAOYSA-N
XLogP2.04
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide (CID 114904167) is 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide is Cc1nccn1-c1cc(Br)ccc1/C(N)=N/O.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is GSZFFYGLSHTKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-7-14-4-5-16(7)10-6-8(12)2-3-9(10)11(13)15-17/h2-6,17H,1H3,(H2,13,15).
What are the key properties of 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 295.14 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114904167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).