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

C8H11N3O2 — CID 566150

IUPACN-(1-acetyl-2-methylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(C(C)=O)c(C)n1
InChIInChI=1S/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12)
InChIKeyURINBERYXARSMG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.81
Rot. Bonds1

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

N-(1-acetyl-2-methylimidazol-4-yl)acetamide (PubChem CID 566150) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1-acetyl-2-methylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2-methylimidazol-4-yl)acetamide
PubChem CID566150
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1-acetyl-2-methylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1cn(C(C)=O)c(C)n1
InChIInChI=1S/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12)
InChIKeyURINBERYXARSMG-UHFFFAOYSA-N
XLogP0.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-Imidazol-1-yl)ethanone
CID 17174
1-methyl-1H-imidazole-2-carboxamide
CID 447041
N-(4-imidazol-1-ylbut-2-ynyl)-N-methylacetamide
CID 15065557
N-(4-imidazol-1-ylbut-2-ynyl)acetamide
CID 15065586
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(1-oxopropyl)-1H-imidazole
CID 77770
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
N-methyl-1H-imidazole-1-carboxamide
CID 12420700
(2E)-2-(hydroxyimino)-N-[3-(1H-imidazol-1-yl)propyl]ethanamide
CID 9553256
N,N-Diethyl-1H-imidazole-1-carboxamide
CID 551772
N-[(1H-imidazol-2-yl)methyl]acetamide
CID 18670192
1H-Imidazolium, 1,3-bis((dimethylamino)carbonyl)-2-methyl-, chloride (1:1)
CID 44152033

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-methylimidazol-4-yl)acetamide?
The IUPAC name of N-(1-acetyl-2-methylimidazol-4-yl)acetamide (CID 566150) is N-(1-acetyl-2-methylimidazol-4-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-2-methylimidazol-4-yl)acetamide?
The canonical SMILES for N-(1-acetyl-2-methylimidazol-4-yl)acetamide is CC(=O)Nc1cn(C(C)=O)c(C)n1.
What is the InChIKey of N-(1-acetyl-2-methylimidazol-4-yl)acetamide?
The InChIKey is URINBERYXARSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12).
What are the key properties of N-(1-acetyl-2-methylimidazol-4-yl)acetamide?
N-(1-acetyl-2-methylimidazol-4-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-methylimidazol-4-yl)acetamide is sourced from PubChem (CID 566150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).