2-(1H-imidazol-5-yl)acetamide;hydrochloride

C5H8ClN3O — CID 67500696

IUPAC2-(1H-imidazol-5-yl)acetamide;hydrochloride
SMILESCl.NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C5H7N3O.ClH/c6-5(9)1-4-2-7-3-8-4;/h2-3H,1H2,(H2,6,9)(H,7,8);1H
InChIKeyCEFWEKZEMAGZDW-UHFFFAOYSA-N
MW161.59 g/mol
LogP-0.14
Rot. Bonds2

About 2-(1H-imidazol-5-yl)acetamide;hydrochloride

2-(1H-imidazol-5-yl)acetamide;hydrochloride (PubChem CID 67500696) has the molecular formula C5H8ClN3O and a molecular weight of 161.59 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)acetamide;hydrochloride
PubChem CID67500696
Molecular FormulaC5H8ClN3O
Molecular Weight161.59 g/mol
Exact Mass161.04
IUPAC Name2-(1H-imidazol-5-yl)acetamide;hydrochloride
SMILESCl.NC(=O)Cc1cnc[nH]1
InChIInChI=1S/C5H7N3O.ClH/c6-5(9)1-4-2-7-3-8-4;/h2-3H,1H2,(H2,6,9)(H,7,8);1H
InChIKeyCEFWEKZEMAGZDW-UHFFFAOYSA-N
XLogP-0.14
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
CID 90739288
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
3-[(3-amino-3-oxopropyl)-[2-(1H-imidazol-5-yl)ethyl]amino]propanamide
CID 118011725
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
N-tert-butyl-2-(1H-imidazol-5-yl)acetamide
CID 25128925
tris[3-(1H-imidazol-5-yl)-2-oxopropyl] phosphate
CID 23615385

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1H-imidazol-5-yl)acetamide;hydrochloride (CID 67500696) is 2-(1H-imidazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1H-imidazol-5-yl)acetamide;hydrochloride is Cl.NC(=O)Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)acetamide;hydrochloride?
The InChIKey is CEFWEKZEMAGZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.ClH/c6-5(9)1-4-2-7-3-8-4;/h2-3H,1H2,(H2,6,9)(H,7,8);1H.
What are the key properties of 2-(1H-imidazol-5-yl)acetamide;hydrochloride?
2-(1H-imidazol-5-yl)acetamide;hydrochloride has a molecular weight of 161.59 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 67500696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).