N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide

C8H10N4O — CID 13439212

IUPACN-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1nc(C)n(C)c1C#N
InChIInChI=1S/C8H10N4O/c1-5-10-8(11-6(2)13)7(4-9)12(5)3/h1-3H3,(H,11,13)
InChIKeyJJBNFNVFEHASNZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.56
Rot. Bonds1

About N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide

N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide (PubChem CID 13439212) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide
PubChem CID13439212
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide
SMILESCC(=O)Nc1nc(C)n(C)c1C#N
InChIInChI=1S/C8H10N4O/c1-5-10-8(11-6(2)13)7(4-9)12(5)3/h1-3H3,(H,11,13)
InChIKeyJJBNFNVFEHASNZ-UHFFFAOYSA-N
XLogP0.56
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1,2-dimethyl-1H-imidazole-5-carbonitrile
CID 12239847
5-amino-1,2-dimethyl-1H-imidazole-4-carbonitrile
CID 12730732
N-(2,4-dicyano-1H-imidazol-5-yl)acetamide
CID 385944
N-(4,5-dicyano-1-ethylimidazol-2-yl)-2,2,2-trifluoroacetamide
CID 59194497
N-(3-cyano-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-fluoro-3-methylbutanamide
CID 137930687
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
CID 42947739
2-amino-6,8-dimethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
CID 136321352
N-(5-cyano-1H-imidazol-4-yl)propanamide
CID 21704470
N-(5-cyano-3-methylimidazol-4-yl)heptanamide
CID 21704483
N-(5-cyano-1H-imidazol-4-yl)butanamide
CID 21704485
N-(5-cyano-1-methylimidazol-4-yl)heptanamide
CID 21704499
1-(5-Amino-4-methylimidazol-1-yl)ethanone
CID 23546851

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide?
The IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide (CID 13439212) is N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide.
What is the SMILES notation for N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide?
The canonical SMILES for N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide is CC(=O)Nc1nc(C)n(C)c1C#N.
What is the InChIKey of N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide?
The InChIKey is JJBNFNVFEHASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-10-8(11-6(2)13)7(4-9)12(5)3/h1-3H3,(H,11,13).
What are the key properties of N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide?
N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide has a molecular weight of 178.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide is sourced from PubChem (CID 13439212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).