N-(5-methyl-1H-imidazol-2-yl)acetamide

C6H9N3O — CID 566330

IUPACN-(5-methyl-1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-3-7-6(8-4)9-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyAIEWKBISOOGENG-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.68
Rot. Bonds1

About N-(5-methyl-1H-imidazol-2-yl)acetamide

N-(5-methyl-1H-imidazol-2-yl)acetamide (PubChem CID 566330) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(5-methyl-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-1H-imidazol-2-yl)acetamide
PubChem CID566330
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(5-methyl-1H-imidazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc(C)[nH]1
InChIInChI=1S/C6H9N3O/c1-4-3-7-6(8-4)9-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyAIEWKBISOOGENG-UHFFFAOYSA-N
XLogP0.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-imidazol-2-yl)acetamide?
The IUPAC name of N-(5-methyl-1H-imidazol-2-yl)acetamide (CID 566330) is N-(5-methyl-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(5-methyl-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(5-methyl-1H-imidazol-2-yl)acetamide is CC(=O)Nc1ncc(C)[nH]1.
What is the InChIKey of N-(5-methyl-1H-imidazol-2-yl)acetamide?
The InChIKey is AIEWKBISOOGENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-7-6(8-4)9-5(2)10/h3H,1-2H3,(H2,7,8,9,10).
What are the key properties of N-(5-methyl-1H-imidazol-2-yl)acetamide?
N-(5-methyl-1H-imidazol-2-yl)acetamide has a molecular weight of 139.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 566330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).