3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide

C10H9BrN4O — CID 82799187

IUPAC3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C10H9BrN4O/c11-8-5-7(10(12)14-16)1-2-9(8)15-4-3-13-6-15/h1-6,16H,(H2,12,14)
InChIKeyAMKHPZLAKSFWSH-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.73
Rot. Bonds2

About 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide

3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide (PubChem CID 82799187) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
PubChem CID82799187
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(-n2ccnc2)c(Br)c1
InChIInChI=1S/C10H9BrN4O/c11-8-5-7(10(12)14-16)1-2-9(8)15-4-3-13-6-15/h1-6,16H,(H2,12,14)
InChIKeyAMKHPZLAKSFWSH-UHFFFAOYSA-N
XLogP1.73
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.73
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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Related Compounds

N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
N'-hydroxy-6-imidazol-1-ylpyridine-3-carboximidamide
CID 24699281
3-bromo-4-(4-bromopyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799717
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3-amino-4-imidazol-1-ylbenzamide
CID 43448488
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748
1-(2-bromo-4-nitrophenyl)imidazole
CID 1475101
5-bromo-2-imidazol-1-ylbenzenecarbothioamide
CID 114892137
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
[1-(3-bromo-4-imidazol-1-ylphenyl)cyclopropyl]methanamine
CID 117471743
N'-hydroxy-6-imidazol-1-yl-5-nitropyridine-3-carboximidamide
CID 103470566

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The IUPAC name of 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide (CID 82799187) is 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide.
What is the SMILES notation for 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The canonical SMILES for 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide is N/C(=N/O)c1ccc(-n2ccnc2)c(Br)c1.
What is the InChIKey of 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
The InChIKey is AMKHPZLAKSFWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-8-5-7(10(12)14-16)1-2-9(8)15-4-3-13-6-15/h1-6,16H,(H2,12,14).
What are the key properties of 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide?
3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide has a molecular weight of 281.11 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide is sourced from PubChem (CID 82799187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).