1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone

C12H13N3O2 — CID 105116343

IUPAC1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1ncccc1C(=O)Cc1nccn1C
InChIInChI=1S/C12H13N3O2/c1-15-7-6-13-11(15)8-10(16)9-4-3-5-14-12(9)17-2/h3-7H,8H2,1-2H3
InChIKeyWJAUDMCXTIEAPH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone

1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 105116343) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID105116343
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1ncccc1C(=O)Cc1nccn1C
InChIInChI=1S/C12H13N3O2/c1-15-7-6-13-11(15)8-10(16)9-4-3-5-14-12(9)17-2/h3-7H,8H2,1-2H3
InChIKeyWJAUDMCXTIEAPH-UHFFFAOYSA-N
XLogP1.25
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methanone
CID 62876172
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 106790241
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105128260
2-(1-methylimidazol-2-yl)-1-pyridin-2-ylethanone
CID 112731558
2-(2-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105078628
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
2-(3,4-dimethylphenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105083502
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784375
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone (CID 105116343) is 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone is COc1ncccc1C(=O)Cc1nccn1C.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is WJAUDMCXTIEAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-7-6-13-11(15)8-10(16)9-4-3-5-14-12(9)17-2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 231.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 105116343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).