N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide

C10H9N5O2 — CID 154585660

IUPACN-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)n1cnc(C#N)c1C#N
InChIInChI=1S/C10H9N5O2/c1-6(14-7(2)16)10(17)15-5-13-8(3-11)9(15)4-12/h5-6H,1-2H3,(H,14,16)
InChIKeyWQPFFZZFEJZQKF-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.21
Rot. Bonds2

About N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide

N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 154585660) has the molecular formula C10H9N5O2 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide
PubChem CID154585660
Molecular FormulaC10H9N5O2
Molecular Weight231.21 g/mol
Exact Mass231.08
IUPAC NameN-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(=O)n1cnc(C#N)c1C#N
InChIInChI=1S/C10H9N5O2/c1-6(14-7(2)16)10(17)15-5-13-8(3-11)9(15)4-12/h5-6H,1-2H3,(H,14,16)
InChIKeyWQPFFZZFEJZQKF-UHFFFAOYSA-N
XLogP-0.21
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
1-[3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]imidazole-4,5-dicarbonitrile
CID 132377713
1-Acetyl-1H-imidazole-4,5-dicarbonitrile
CID 45086192
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
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
CID 42947739
N-[2-(4,5-dimethylimidazol-1-yl)acetyl]propanamide
CID 23356763
4-(4,5-dimethylimidazol-1-yl)-N-propylbutanamide
CID 53688803

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide (CID 154585660) is N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide is CC(=O)NC(C)C(=O)n1cnc(C#N)c1C#N.
What is the InChIKey of N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is WQPFFZZFEJZQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-6(14-7(2)16)10(17)15-5-13-8(3-11)9(15)4-12/h5-6H,1-2H3,(H,14,16).
What are the key properties of N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide?
N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 231.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dicyanoimidazol-1-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 154585660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).