N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide

C7H11N3O2 — CID 3035957

IUPACN-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)c1cnc(C)n1C
InChIInChI=1S/C7H11N3O2/c1-5-8-4-7(9(5)3)10(12)6(2)11/h4,12H,1-3H3
InChIKeyWTQHZEPQFDBZCI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.47
Rot. Bonds1

About N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide

N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide (PubChem CID 3035957) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide
PubChem CID3035957
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide
SMILESCC(=O)N(O)c1cnc(C)n1C
InChIInChI=1S/C7H11N3O2/c1-5-8-4-7(9(5)3)10(12)6(2)11/h4,12H,1-3H3
InChIKeyWTQHZEPQFDBZCI-UHFFFAOYSA-N
XLogP0.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide?
The IUPAC name of N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide (CID 3035957) is N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide.
What is the SMILES notation for N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide?
The canonical SMILES for N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide is CC(=O)N(O)c1cnc(C)n1C.
What is the InChIKey of N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide?
The InChIKey is WTQHZEPQFDBZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-8-4-7(9(5)3)10(12)6(2)11/h4,12H,1-3H3.
What are the key properties of N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide?
N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide has a molecular weight of 169.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylimidazol-4-yl)-N-hydroxyacetamide is sourced from PubChem (CID 3035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).