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

C8H13N3O — CID 54264805

IUPAC2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C8H13N3O/c1-6-7(2)11(5-10-6)4-8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeySSHPSAVEMNBQSV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.25
Rot. Bonds2

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

2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide (PubChem CID 54264805) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide
PubChem CID54264805
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1cnc(C)c1C
InChIInChI=1S/C8H13N3O/c1-6-7(2)11(5-10-6)4-8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeySSHPSAVEMNBQSV-UHFFFAOYSA-N
XLogP0.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.25
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-methylacetamide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide (CID 54264805) is 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide is CNC(=O)Cn1cnc(C)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide?
The InChIKey is SSHPSAVEMNBQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-7(2)11(5-10-6)4-8(12)9-3/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide?
2-(4,5-dimethylimidazol-1-yl)-N-methylacetamide has a molecular weight of 167.21 g/mol, XLogP of 0.25, 2 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-methylacetamide is sourced from PubChem (CID 54264805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).