N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide

C9H9N5O — CID 118945743

IUPACN-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide
SMILESCCn1c(NC(C)=O)nc(C#N)c1C#N
InChIInChI=1S/C9H9N5O/c1-3-14-8(5-11)7(4-10)13-9(14)12-6(2)15/h3H2,1-2H3,(H,12,13,15)
InChIKeyWBHDJYBPYOQKIQ-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.60
Rot. Bonds2

About N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide

N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide (PubChem CID 118945743) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide
PubChem CID118945743
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC NameN-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide
SMILESCCn1c(NC(C)=O)nc(C#N)c1C#N
InChIInChI=1S/C9H9N5O/c1-3-14-8(5-11)7(4-10)13-9(14)12-6(2)15/h3H2,1-2H3,(H,12,13,15)
InChIKeyWBHDJYBPYOQKIQ-UHFFFAOYSA-N
XLogP0.60
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide?
The IUPAC name of N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide (CID 118945743) is N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide.
What is the SMILES notation for N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide?
The canonical SMILES for N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide is CCn1c(NC(C)=O)nc(C#N)c1C#N.
What is the InChIKey of N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide?
The InChIKey is WBHDJYBPYOQKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-3-14-8(5-11)7(4-10)13-9(14)12-6(2)15/h3H2,1-2H3,(H,12,13,15).
What are the key properties of N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide?
N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide has a molecular weight of 203.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dicyano-1-ethylimidazol-2-yl)acetamide is sourced from PubChem (CID 118945743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).