1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone

C10H16N2O — CID 22574990

IUPAC1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone
SMILESCCCc1nc(C(C)=O)c(CC)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-6-9-11-8(5-2)10(12-9)7(3)13/h4-6H2,1-3H3,(H,11,12)
InChIKeyMUQUECJVKZFNGE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.13
Rot. Bonds4

About 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone

1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone (PubChem CID 22574990) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone
PubChem CID22574990
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone
SMILESCCCc1nc(C(C)=O)c(CC)[nH]1
InChIInChI=1S/C10H16N2O/c1-4-6-9-11-8(5-2)10(12-9)7(3)13/h4-6H2,1-3H3,(H,11,12)
InChIKeyMUQUECJVKZFNGE-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone (CID 22574990) is 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone is CCCc1nc(C(C)=O)c(CC)[nH]1.
What is the InChIKey of 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone?
The InChIKey is MUQUECJVKZFNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-6-9-11-8(5-2)10(12-9)7(3)13/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone?
1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone has a molecular weight of 180.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-propyl-1H-imidazol-4-yl)ethanone is sourced from PubChem (CID 22574990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).