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

C12H14N4O — CID 62308838

IUPACN'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(-n2ccnc2C)c1
InChIInChI=1S/C12H14N4O/c1-8-3-4-10(12(13)15-17)11(7-8)16-6-5-14-9(16)2/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyIIJOVIPHFRDMOL-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.58
Rot. Bonds2

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

N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide (PubChem CID 62308838) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
PubChem CID62308838
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(-n2ccnc2C)c1
InChIInChI=1S/C12H14N4O/c1-8-3-4-10(12(13)15-17)11(7-8)16-6-5-14-9(16)2/h3-7,17H,1-2H3,(H2,13,15)
InChIKeyIIJOVIPHFRDMOL-UHFFFAOYSA-N
XLogP1.58
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.58
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-methylimidazol-1-yl)benzenecarboximidamide
CID 107930064
4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 114904167
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046
4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114904183
2-chloro-N'-hydroxy-6-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62496169
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
4-chloro-2-(2-methylimidazol-1-yl)benzamide
CID 63811813
N'-hydroxy-4-methyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarboximidamide
CID 76982032
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303403
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307108
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938898

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide (CID 62308838) is N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(-n2ccnc2C)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
The InChIKey is IIJOVIPHFRDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-3-4-10(12(13)15-17)11(7-8)16-6-5-14-9(16)2/h3-7,17H,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide has a molecular weight of 230.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 62308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).