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

C5H7N3O — CID 18474115

IUPAC2-(1H-imidazol-2-yl)acetamide
SMILESNC(=O)Cc1ncc[nH]1
InChIInChI=1S/C5H7N3O/c6-4(9)3-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyASTRWPOSIDFRGD-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.56
Rot. Bonds2

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

2-(1H-imidazol-2-yl)acetamide (PubChem CID 18474115) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)acetamide
PubChem CID18474115
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-(1H-imidazol-2-yl)acetamide
SMILESNC(=O)Cc1ncc[nH]1
InChIInChI=1S/C5H7N3O/c6-4(9)3-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8)
InChIKeyASTRWPOSIDFRGD-UHFFFAOYSA-N
XLogP-0.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(1H-imidazol-2-yl)acetamide (CID 18474115) is 2-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)acetamide is NC(=O)Cc1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)acetamide?
The InChIKey is ASTRWPOSIDFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-4(9)3-5-7-1-2-8-5/h1-2H,3H2,(H2,6,9)(H,7,8).
What are the key properties of 2-(1H-imidazol-2-yl)acetamide?
2-(1H-imidazol-2-yl)acetamide has a molecular weight of 125.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 18474115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).