1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone

C11H11N3O — CID 83119576

IUPAC1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccnc2C)cn1
InChIInChI=1S/C11H11N3O/c1-8(15)11-4-3-10(7-13-11)14-6-5-12-9(14)2/h3-7H,1-2H3
InChIKeyKWPKXWKCULDXLC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.78
Rot. Bonds2

About 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone

1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone (PubChem CID 83119576) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone
PubChem CID83119576
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-n2ccnc2C)cn1
InChIInChI=1S/C11H11N3O/c1-8(15)11-4-3-10(7-13-11)14-6-5-12-9(14)2/h3-7H,1-2H3
InChIKeyKWPKXWKCULDXLC-UHFFFAOYSA-N
XLogP1.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone (CID 83119576) is 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone is CC(=O)c1ccc(-n2ccnc2C)cn1.
What is the InChIKey of 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone?
The InChIKey is KWPKXWKCULDXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8(15)11-4-3-10(7-13-11)14-6-5-12-9(14)2/h3-7H,1-2H3.
What are the key properties of 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone?
1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylimidazol-1-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 83119576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).