N-(2-bromo-1-methylimidazol-4-yl)acetamide

C6H8BrN3O — CID 130005773

IUPACN-(2-bromo-1-methylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(C)c(Br)n1
InChIInChI=1S/C6H8BrN3O/c1-4(11)8-5-3-10(2)6(7)9-5/h3H,1-2H3,(H,8,11)
InChIKeyGHOJPIRILHPZRY-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.14
Rot. Bonds1

About N-(2-bromo-1-methylimidazol-4-yl)acetamide

N-(2-bromo-1-methylimidazol-4-yl)acetamide (PubChem CID 130005773) has the molecular formula C6H8BrN3O and a molecular weight of 218.05 g/mol. Its IUPAC name is N-(2-bromo-1-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-1-methylimidazol-4-yl)acetamide
PubChem CID130005773
Molecular FormulaC6H8BrN3O
Molecular Weight218.05 g/mol
Exact Mass216.99
IUPAC NameN-(2-bromo-1-methylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(C)c(Br)n1
InChIInChI=1S/C6H8BrN3O/c1-4(11)8-5-3-10(2)6(7)9-5/h3H,1-2H3,(H,8,11)
InChIKeyGHOJPIRILHPZRY-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-methylimidazol-4-yl)acetamide?
The IUPAC name of N-(2-bromo-1-methylimidazol-4-yl)acetamide (CID 130005773) is N-(2-bromo-1-methylimidazol-4-yl)acetamide.
What is the SMILES notation for N-(2-bromo-1-methylimidazol-4-yl)acetamide?
The canonical SMILES for N-(2-bromo-1-methylimidazol-4-yl)acetamide is CC(=O)Nc1cn(C)c(Br)n1.
What is the InChIKey of N-(2-bromo-1-methylimidazol-4-yl)acetamide?
The InChIKey is GHOJPIRILHPZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O/c1-4(11)8-5-3-10(2)6(7)9-5/h3H,1-2H3,(H,8,11).
What are the key properties of N-(2-bromo-1-methylimidazol-4-yl)acetamide?
N-(2-bromo-1-methylimidazol-4-yl)acetamide has a molecular weight of 218.05 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 130005773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).