acetamide;1H-imidazol-3-ium;chloride

C5H10ClN3O — CID 160967651

IUPACacetamide;1H-imidazol-3-ium;chloride
SMILESCC(N)=O.[Cl-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.C2H5NO.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H2,3,4);1H
InChIKeyDABRSBSEVMKBJY-UHFFFAOYSA-N
MW163.61 g/mol
LogP-3.68
Rot. Bonds

About acetamide;1H-imidazol-3-ium;chloride

acetamide;1H-imidazol-3-ium;chloride (PubChem CID 160967651) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is acetamide;1H-imidazol-3-ium;chloride.

Molecular Properties

Compound Nameacetamide;1H-imidazol-3-ium;chloride
PubChem CID160967651
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Nameacetamide;1H-imidazol-3-ium;chloride
SMILESCC(N)=O.[Cl-].c1c[nH+]c[nH]1
InChIInChI=1S/C3H4N2.C2H5NO.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H2,3,4);1H
InChIKeyDABRSBSEVMKBJY-UHFFFAOYSA-N
XLogP-3.68
TPSA73.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 5-3.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetamide;1H-imidazol-3-ium;chloride?
The IUPAC name of acetamide;1H-imidazol-3-ium;chloride (CID 160967651) is acetamide;1H-imidazol-3-ium;chloride.
What is the SMILES notation for acetamide;1H-imidazol-3-ium;chloride?
The canonical SMILES for acetamide;1H-imidazol-3-ium;chloride is CC(N)=O.[Cl-].c1c[nH+]c[nH]1.
What is the InChIKey of acetamide;1H-imidazol-3-ium;chloride?
The InChIKey is DABRSBSEVMKBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H5NO.ClH/c1-2-5-3-4-1;1-2(3)4;/h1-3H,(H,4,5);1H3,(H2,3,4);1H.
What are the key properties of acetamide;1H-imidazol-3-ium;chloride?
acetamide;1H-imidazol-3-ium;chloride has a molecular weight of 163.61 g/mol, XLogP of -3.68, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-imidazol-3-ium;chloride is sourced from PubChem (CID 160967651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).