2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide

C10H17N3O — CID 54380934

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-5-12(4)10(14)6-13-7-11-8(2)9(13)3/h7H,5-6H2,1-4H3
InChIKeyMLCIVIUQVWNUMR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.98
Rot. Bonds3

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

2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 54380934) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide
PubChem CID54380934
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cnc(C)c1C
InChIInChI=1S/C10H17N3O/c1-5-12(4)10(14)6-13-7-11-8(2)9(13)3/h7H,5-6H2,1-4H3
InChIKeyMLCIVIUQVWNUMR-UHFFFAOYSA-N
XLogP0.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide (CID 54380934) is 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is MLCIVIUQVWNUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-12(4)10(14)6-13-7-11-8(2)9(13)3/h7H,5-6H2,1-4H3.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide?
2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 195.27 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 54380934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).