N-(1H-imidazol-2-ylmethyl)acetamide

C6H9N3O — CID 18670192

IUPACN-(1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10)
InChIKeySXKAQLCLHGQXHB-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.05
Rot. Bonds2

About N-(1H-imidazol-2-ylmethyl)acetamide

N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 18670192) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID18670192
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-(1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10)
InChIKeySXKAQLCLHGQXHB-UHFFFAOYSA-N
XLogP0.05
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)acetamide (CID 18670192) is N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)acetamide is CC(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is SXKAQLCLHGQXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10).
What are the key properties of N-(1H-imidazol-2-ylmethyl)acetamide?
N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 139.16 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 18670192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).