2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate

C10H15N3O3 — CID 5200400

IUPAC2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate
SMILESCC(=O)Nc1cnc(C)n1CCOC(C)=O
InChIInChI=1S/C10H15N3O3/c1-7-11-6-10(12-8(2)14)13(7)4-5-16-9(3)15/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyZUKPKNGGSIMCBP-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.71
Rot. Bonds4

About 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate

2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate (PubChem CID 5200400) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate
PubChem CID5200400
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate
SMILESCC(=O)Nc1cnc(C)n1CCOC(C)=O
InChIInChI=1S/C10H15N3O3/c1-7-11-6-10(12-8(2)14)13(7)4-5-16-9(3)15/h6H,4-5H2,1-3H3,(H,12,14)
InChIKeyZUKPKNGGSIMCBP-UHFFFAOYSA-N
XLogP0.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate?
The IUPAC name of 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate (CID 5200400) is 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate is CC(=O)Nc1cnc(C)n1CCOC(C)=O.
What is the InChIKey of 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate?
The InChIKey is ZUKPKNGGSIMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-11-6-10(12-8(2)14)13(7)4-5-16-9(3)15/h6H,4-5H2,1-3H3,(H,12,14).
What are the key properties of 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate?
2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate has a molecular weight of 225.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methylimidazol-1-yl)ethyl acetate is sourced from PubChem (CID 5200400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).