1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone

C11H11N3O — CID 130502066

IUPAC1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cnccc2C)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-3-4-12-5-9(7)11-13-6-10(14-11)8(2)15/h3-6H,1-2H3,(H,13,14)
InChIKeyMALHHNMZLJXJOY-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.98
Rot. Bonds2

About 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone

1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone (PubChem CID 130502066) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone
PubChem CID130502066
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone
SMILESCC(=O)c1cnc(-c2cnccc2C)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-3-4-12-5-9(7)11-13-6-10(14-11)8(2)15/h3-6H,1-2H3,(H,13,14)
InChIKeyMALHHNMZLJXJOY-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 114878874
1-[2-(1,5-dimethylpyrazol-4-yl)-1H-imidazol-5-yl]ethanone
CID 130502121
2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82474265
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)pyridine
CID 86217259
1-[5-[5-(4-methyl-3-pyridinyl)thiophen-2-yl]thiophen-2-yl]ethanone
CID 86217197
1-[2-(5-bromothiophen-2-yl)-1H-imidazol-5-yl]ethanone
CID 130502056
2-[2-(2,4-dimethylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82478341
4-(aminomethyl)-2-(4-methyl-3-pyridinyl)-1H-pyrimidin-6-one
CID 137007205
methyl 2-(2,4-dimethylphenyl)-1H-imidazole-5-carboxylate
CID 55050767
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
1-[2-(methylamino)-1H-imidazol-5-yl]ethanone
CID 45085559

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone (CID 130502066) is 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone is CC(=O)c1cnc(-c2cnccc2C)[nH]1.
What is the InChIKey of 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone?
The InChIKey is MALHHNMZLJXJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-3-4-12-5-9(7)11-13-6-10(14-11)8(2)15/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone?
1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-3-pyridinyl)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 130502066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).