2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone

C11H11N3O — CID 112731558

IUPAC2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
SMILESCn1ccnc1CC(=O)c1ccccn1
InChIInChI=1S/C11H11N3O/c1-14-7-6-13-11(14)8-10(15)9-4-2-3-5-12-9/h2-7H,8H2,1H3
InChIKeyDXLRUQNGJXDXDS-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.24
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone

2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone (PubChem CID 112731558) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
PubChem CID112731558
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
SMILESCn1ccnc1CC(=O)c1ccccn1
InChIInChI=1S/C11H11N3O/c1-14-7-6-13-11(14)8-10(15)9-4-2-3-5-12-9/h2-7H,8H2,1H3
InChIKeyDXLRUQNGJXDXDS-UHFFFAOYSA-N
XLogP1.24
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
2-(1-methylimidazol-2-yl)-1-(2-methylquinolin-4-yl)ethanone
CID 105116313
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
CID 116555402
1-(5-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 112731562
1-(5-bromofuran-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784385
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone (CID 112731558) is 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone is Cn1ccnc1CC(=O)c1ccccn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone?
The InChIKey is DXLRUQNGJXDXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-7-6-13-11(14)8-10(15)9-4-2-3-5-12-9/h2-7H,8H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone?
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone has a molecular weight of 201.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 112731558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).