2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide

C9H15N3O — CID 54301914

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-4-10-9(13)5-12-6-11-7(2)8(12)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyASXJHWVWSOGGSG-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds3

About 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide

2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide (PubChem CID 54301914) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide
PubChem CID54301914
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C9H15N3O/c1-4-10-9(13)5-12-6-11-7(2)8(12)3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyASXJHWVWSOGGSG-UHFFFAOYSA-N
XLogP0.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide (CID 54301914) is 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide is CCNC(=O)Cn1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide?
The InChIKey is ASXJHWVWSOGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-10-9(13)5-12-6-11-7(2)8(12)3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide?
2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide has a molecular weight of 181.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-ethylacetamide is sourced from PubChem (CID 54301914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).