2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide

C6H12BrN3O — CID 173113651

IUPAC2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CN1C=CN(CC(N)=O)C1
InChIInChI=1S/C6H11N3O.BrH/c1-8-2-3-9(5-8)4-6(7)10;/h2-3H,4-5H2,1H3,(H2,7,10);1H
InChIKeyFSAYBZMDFZXFCO-UHFFFAOYSA-N
MW222.09 g/mol
LogP-0.27
Rot. Bonds2

About 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide

2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (PubChem CID 173113651) has the molecular formula C6H12BrN3O and a molecular weight of 222.09 g/mol. Its IUPAC name is 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
PubChem CID173113651
Molecular FormulaC6H12BrN3O
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide
SMILESBr.CN1C=CN(CC(N)=O)C1
InChIInChI=1S/C6H11N3O.BrH/c1-8-2-3-9(5-8)4-6(7)10;/h2-3H,4-5H2,1H3,(H2,7,10);1H
InChIKeyFSAYBZMDFZXFCO-UHFFFAOYSA-N
XLogP-0.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The IUPAC name of 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide (CID 173113651) is 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide.
What is the SMILES notation for 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The canonical SMILES for 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is Br.CN1C=CN(CC(N)=O)C1.
What is the InChIKey of 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
The InChIKey is FSAYBZMDFZXFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.BrH/c1-8-2-3-9(5-8)4-6(7)10;/h2-3H,4-5H2,1H3,(H2,7,10);1H.
What are the key properties of 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide?
2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide has a molecular weight of 222.09 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2H-imidazol-1-yl)acetamide;hydrobromide is sourced from PubChem (CID 173113651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).