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

C13H15BrN4O — CID 114904183

IUPAC4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C13H15BrN4O/c1-2-3-12-16-6-7-18(12)11-8-9(14)4-5-10(11)13(15)17-19/h4-8,19H,2-3H2,1H3,(H2,15,17)
InChIKeyYACAFVXKCAYYBE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds4

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

4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide (PubChem CID 114904183) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
PubChem CID114904183
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1cc(Br)ccc1/C(N)=N/O
InChIInChI=1S/C13H15BrN4O/c1-2-3-12-16-6-7-18(12)11-8-9(14)4-5-10(11)13(15)17-19/h4-8,19H,2-3H2,1H3,(H2,15,17)
InChIKeyYACAFVXKCAYYBE-UHFFFAOYSA-N
XLogP2.68
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
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

5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 114904167
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
N'-hydroxy-6-methyl-2-(2-propylimidazol-1-yl)pyridine-3-carboximidamide
CID 77021204
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303403
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
4-bromo-2-(3,5-diethyl-1,2,4-triazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114904187
N'-hydroxy-5-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
1-[2-amino-5-(2-propylimidazol-1-yl)phenyl]ethanone
CID 104613159
4-bromo-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903868
[4-chloro-2-(2-propylimidazol-1-yl)phenyl]methanol
CID 114845946

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide (CID 114904183) is 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide is CCCc1nccn1-c1cc(Br)ccc1/C(N)=N/O.
What is the InChIKey of 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is YACAFVXKCAYYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-3-12-16-6-7-18(12)11-8-9(14)4-5-10(11)13(15)17-19/h4-8,19H,2-3H2,1H3,(H2,15,17).
What are the key properties of 4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 323.19 g/mol, XLogP of 2.68, 4 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-propylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114904183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).