2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide

C11H14N6O — CID 42947739

IUPAC2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(N)nc(C#N)c1C#N
InChIInChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyWRHHRIYJYQKHNW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.12
Rot. Bonds4

About 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide

2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide (PubChem CID 42947739) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
PubChem CID42947739
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)Cn1c(N)nc(C#N)c1C#N
InChIInChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyWRHHRIYJYQKHNW-UHFFFAOYSA-N
XLogP0.12
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]imidazole-4,5-dicarbonitrile
CID 132377713
N-(4,5-dicyano-1-ethylimidazol-2-yl)-2,2,2-trifluoroacetamide
CID 59194497
1-Acetyl-1H-imidazole-4,5-dicarbonitrile
CID 45086192
N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
N-[3-(4,5-dicyanoimidazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 86794669
2-(4,5-dicyanoimidazol-1-yl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86794681
2-(4,5-dicyanoimidazol-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 86794691
2-(4,5-dicyanoimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 112595457
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
2-[5-cyano-4-(trifluoromethyl)imidazol-1-yl]-N-cycloheptylacetamide
CID 126823875
N-(5-cyano-1,2-dimethylimidazol-4-yl)acetamide
CID 13439212
2-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylacetamide
CID 53776483

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide (CID 42947739) is 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)Cn1c(N)nc(C#N)c1C#N.
What is the InChIKey of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide?
The InChIKey is WRHHRIYJYQKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-7(2)15-10(18)6-17-9(5-13)8(4-12)16-11(17)14/h7H,3,6H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide?
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide has a molecular weight of 246.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 42947739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).