N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide

C14H18N4O — CID 107109573

IUPACN'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C14H18N4O/c1-3-5-12-16-8-9-18(12)13-10(2)6-4-7-11(13)14(15)17-19/h4,6-9,19H,3,5H2,1-2H3,(H2,15,17)
InChIKeyDBINWNIGLKRKIY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide

N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide (PubChem CID 107109573) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
PubChem CID107109573
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
SMILESCCCc1nccn1-c1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C14H18N4O/c1-3-5-12-16-8-9-18(12)13-10(2)6-4-7-11(13)14(15)17-19/h4,6-9,19H,3,5H2,1-2H3,(H2,15,17)
InChIKeyDBINWNIGLKRKIY-UHFFFAOYSA-N
XLogP2.23
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
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-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
N'-hydroxy-6-methyl-2-(2-propylimidazol-1-yl)pyridine-3-carboximidamide
CID 77021204
4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114904183
5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109567
1-[3-fluoro-2-(2-propylimidazol-1-yl)phenyl]ethanone
CID 114058503
3-[1-(2,6-dimethylphenyl)imidazol-2-yl]propanoic acid
CID 82294272
N'-hydroxy-3-methyl-2-[methyl(propyl)amino]benzenecarboximidamide
CID 107109142
2-[1-(2-methyl-6-nitrophenyl)imidazol-2-yl]ethanamine
CID 113334110
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109563
5-amino-3-chloro-2-(2-propylimidazol-1-yl)benzoic acid
CID 107197117

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide (CID 107109573) is N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide is CCCc1nccn1-c1c(C)cccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is DBINWNIGLKRKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-5-12-16-8-9-18(12)13-10(2)6-4-7-11(13)14(15)17-19/h4,6-9,19H,3,5H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide?
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 258.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107109573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).