2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone

C13H15N3O2 — CID 105065016

IUPAC2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccncc1OC
InChIInChI=1S/C13H15N3O2/c1-3-16-7-6-15-13(16)8-11(17)10-4-5-14-9-12(10)18-2/h4-7,9H,3,8H2,1-2H3
InChIKeySGBBJPKZMFMTAA-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.73
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone

2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone (PubChem CID 105065016) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
PubChem CID105065016
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCCn1ccnc1CC(=O)c1ccncc1OC
InChIInChI=1S/C13H15N3O2/c1-3-16-7-6-15-13(16)8-11(17)10-4-5-14-9-12(10)18-2/h4-7,9H,3,8H2,1-2H3
InChIKeySGBBJPKZMFMTAA-UHFFFAOYSA-N
XLogP1.73
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115783615
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066362
1-(5-amino-1-methylpyrazol-4-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744377
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(1-ethylimidazol-2-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274194
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
1-(2,6-dichlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783517
2-(1-ethylimidazol-2-yl)-1-(4-iodophenyl)ethanone
CID 115783583
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
1-(2,5-dimethylfuran-3-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783601
2-(1-ethylimidazol-2-yl)-1-quinolin-5-ylethanone
CID 105115236
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone (CID 105065016) is 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone is CCn1ccnc1CC(=O)c1ccncc1OC.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone?
The InChIKey is SGBBJPKZMFMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16-7-6-15-13(16)8-11(17)10-4-5-14-9-12(10)18-2/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone?
2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone has a molecular weight of 245.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 105065016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).