2-(3-methyl-2H-imidazol-1-yl)acetamide

C6H11N3O — CID 57278656

IUPAC2-(3-methyl-2H-imidazol-1-yl)acetamide
SMILESCN1C=CN(CC(N)=O)C1
InChIInChI=1S/C6H11N3O/c1-8-2-3-9(5-8)4-6(7)10/h2-3H,4-5H2,1H3,(H2,7,10)
InChIKeyAZFQMHOAPVYPNM-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.85
Rot. Bonds2

About 2-(3-methyl-2H-imidazol-1-yl)acetamide

2-(3-methyl-2H-imidazol-1-yl)acetamide (PubChem CID 57278656) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)acetamide
PubChem CID57278656
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)acetamide
SMILESCN1C=CN(CC(N)=O)C1
InChIInChI=1S/C6H11N3O/c1-8-2-3-9(5-8)4-6(7)10/h2-3H,4-5H2,1H3,(H2,7,10)
InChIKeyAZFQMHOAPVYPNM-UHFFFAOYSA-N
XLogP-0.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)acetamide?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)acetamide (CID 57278656) is 2-(3-methyl-2H-imidazol-1-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)acetamide is CN1C=CN(CC(N)=O)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)acetamide?
The InChIKey is AZFQMHOAPVYPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-8-2-3-9(5-8)4-6(7)10/h2-3H,4-5H2,1H3,(H2,7,10).
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)acetamide?
2-(3-methyl-2H-imidazol-1-yl)acetamide has a molecular weight of 141.17 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)acetamide is sourced from PubChem (CID 57278656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).