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

C8H13N3O — CID 58503611

IUPACN-[2-(1-methylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C)cn1
InChIInChI=1S/C8H13N3O/c1-7(12)9-4-3-8-5-11(2)6-10-8/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyRVPKKLDXFFTADD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds3

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

N-[2-(1-methylimidazol-4-yl)ethyl]acetamide (PubChem CID 58503611) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-4-yl)ethyl]acetamide
PubChem CID58503611
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(1-methylimidazol-4-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C)cn1
InChIInChI=1S/C8H13N3O/c1-7(12)9-4-3-8-5-11(2)6-10-8/h5-6H,3-4H2,1-2H3,(H,9,12)
InChIKeyRVPKKLDXFFTADD-UHFFFAOYSA-N
XLogP0.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]acetamide (CID 58503611) is N-[2-(1-methylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-methylimidazol-4-yl)ethyl]acetamide is CC(=O)NCCc1cn(C)cn1.
What is the InChIKey of N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
The InChIKey is RVPKKLDXFFTADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(12)9-4-3-8-5-11(2)6-10-8/h5-6H,3-4H2,1-2H3,(H,9,12).
What are the key properties of N-[2-(1-methylimidazol-4-yl)ethyl]acetamide?
N-[2-(1-methylimidazol-4-yl)ethyl]acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 58503611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).