2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

C13H16N4O — CID 107109567

IUPAC2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1cnc(C)c1C
InChIInChI=1S/C13H16N4O/c1-8-5-4-6-11(13(14)16-18)12(8)17-7-15-9(2)10(17)3/h4-7,18H,1-3H3,(H2,14,16)
InChIKeyQIBVTPJVASDGJU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.89
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109567) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109567
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1-n1cnc(C)c1C
InChIInChI=1S/C13H16N4O/c1-8-5-4-6-11(13(14)16-18)12(8)17-7-15-9(2)10(17)3/h4-7,18H,1-3H3,(H2,14,16)
InChIKeyQIBVTPJVASDGJU-UHFFFAOYSA-N
XLogP1.89
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.89
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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109563
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
N'-hydroxy-3-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107109573
N'-hydroxy-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-methylbenzenecarboximidamide
CID 107109376
2-(4,5-dimethylimidazol-1-yl)-3-fluorobenzoic acid
CID 62649127
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-(2,5-dimethylpiperidin-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109406
N'-hydroxy-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylbenzenecarboximidamide
CID 107109442
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109567) is 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1-n1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is QIBVTPJVASDGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-5-4-6-11(13(14)16-18)12(8)17-7-15-9(2)10(17)3/h4-7,18H,1-3H3,(H2,14,16).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 244.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).