N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide

C9H13N3O2 — CID 91700454

IUPACN-[2-(1-acetylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C(C)=O)cn1
InChIInChI=1S/C9H13N3O2/c1-7(13)10-4-3-9-5-12(6-11-9)8(2)14/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyWFVCYFOLCWSCDI-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.22
Rot. Bonds3

About N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide

N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide (PubChem CID 91700454) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetylimidazol-4-yl)ethyl]acetamide
PubChem CID91700454
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[2-(1-acetylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C(C)=O)cn1
InChIInChI=1S/C9H13N3O2/c1-7(13)10-4-3-9-5-12(6-11-9)8(2)14/h5-6H,3-4H2,1-2H3,(H,10,13)
InChIKeyWFVCYFOLCWSCDI-UHFFFAOYSA-N
XLogP0.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide (CID 91700454) is N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide is CC(=O)NCCc1cn(C(C)=O)cn1.
What is the InChIKey of N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide?
The InChIKey is WFVCYFOLCWSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(13)10-4-3-9-5-12(6-11-9)8(2)14/h5-6H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide?
N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide has a molecular weight of 195.22 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 91700454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).