1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one

C13H15N3O — CID 13387933

IUPAC1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(-c2cccnc2)[nH]c1CC
InChIInChI=1S/C13H15N3O/c1-3-10-12(11(17)4-2)16-13(15-10)9-6-5-7-14-8-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyNZDXZMWTJIBALA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.63
Rot. Bonds4

About 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one

1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one (PubChem CID 13387933) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one
PubChem CID13387933
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one
SMILESCCC(=O)c1nc(-c2cccnc2)[nH]c1CC
InChIInChI=1S/C13H15N3O/c1-3-10-12(11(17)4-2)16-13(15-10)9-6-5-7-14-8-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyNZDXZMWTJIBALA-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one?
The IUPAC name of 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one (CID 13387933) is 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one?
The canonical SMILES for 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one is CCC(=O)c1nc(-c2cccnc2)[nH]c1CC.
What is the InChIKey of 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one?
The InChIKey is NZDXZMWTJIBALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-12(11(17)4-2)16-13(15-10)9-6-5-7-14-8-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one?
1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one is sourced from PubChem (CID 13387933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).