2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide

C13H16N4O2 — CID 81303403

IUPAC2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCc1nccn1-c1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C13H16N4O2/c1-3-12-15-6-7-17(12)11-8-9(19-2)4-5-10(11)13(14)16-18/h4-8,18H,3H2,1-2H3,(H2,14,16)
InChIKeyLKBTYBFBKLEVTJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.54
Rot. Bonds4

About 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide

2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 81303403) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID81303403
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCc1nccn1-c1cc(OC)ccc1/C(N)=N/O
InChIInChI=1S/C13H16N4O2/c1-3-12-15-6-7-17(12)11-8-9(19-2)4-5-10(11)13(14)16-18/h4-8,18H,3H2,1-2H3,(H2,14,16)
InChIKeyLKBTYBFBKLEVTJ-UHFFFAOYSA-N
XLogP1.54
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114904183
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
5-bromo-N'-hydroxy-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 114892684
4-bromo-N'-hydroxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 114904167
4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 81302850
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
1-(2-ethylimidazol-1-yl)-6-methoxyisoquinoline
CID 106543680
N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 81296987
2-(2-ethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297321
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590
N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 81303015

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 81303403) is 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide is CCc1nccn1-c1cc(OC)ccc1/C(N)=N/O.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is LKBTYBFBKLEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-12-15-6-7-17(12)11-8-9(19-2)4-5-10(11)13(14)16-18/h4-8,18H,3H2,1-2H3,(H2,14,16).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide?
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 260.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).