2-imidazol-1-ylacetamide

C5H7N3O — CID 712343

IUPAC2-imidazol-1-ylacetamide
SMILESNC(=O)Cn1ccnc1
InChIInChI=1S/C5H7N3O/c6-5(9)3-8-2-1-7-4-8/h1-2,4H,3H2,(H2,6,9)
InChIKeyMEAVLRNBGURMFI-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.63
Rot. Bonds2

About 2-imidazol-1-ylacetamide

2-imidazol-1-ylacetamide (PubChem CID 712343) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-imidazol-1-ylacetamide.

Molecular Properties

Compound Name2-imidazol-1-ylacetamide
PubChem CID712343
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-imidazol-1-ylacetamide
SMILESNC(=O)Cn1ccnc1
InChIInChI=1S/C5H7N3O/c6-5(9)3-8-2-1-7-4-8/h1-2,4H,3H2,(H2,6,9)
InChIKeyMEAVLRNBGURMFI-UHFFFAOYSA-N
XLogP-0.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylacetamide?
The IUPAC name of 2-imidazol-1-ylacetamide (CID 712343) is 2-imidazol-1-ylacetamide.
What is the SMILES notation for 2-imidazol-1-ylacetamide?
The canonical SMILES for 2-imidazol-1-ylacetamide is NC(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-ylacetamide?
The InChIKey is MEAVLRNBGURMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5(9)3-8-2-1-7-4-8/h1-2,4H,3H2,(H2,6,9).
What are the key properties of 2-imidazol-1-ylacetamide?
2-imidazol-1-ylacetamide has a molecular weight of 125.13 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylacetamide is sourced from PubChem (CID 712343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).