1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

C14H16N2O2 — CID 106790241

IUPAC1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-10-4-5-11(13(8-10)18-3)12(17)9-14-15-6-7-16(14)2/h4-8H,9H2,1-3H3
InChIKeyWYSZXYBBBWGIRW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.16
Rot. Bonds4

About 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 106790241) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID106790241
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOc1cc(C)ccc1C(=O)Cc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-10-4-5-11(13(8-10)18-3)12(17)9-14-15-6-7-16(14)2/h4-8H,9H2,1-3H3
InChIKeyWYSZXYBBBWGIRW-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443
2-[2-(2-methoxy-5-methylphenyl)prop-2-enyl]-1-methylimidazole
CID 89441655
2-(2-ethylimidazol-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 61405021
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116343
1-(3-methoxythiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784375
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107944629
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 105116318
1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
CID 43802368

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 106790241) is 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is COc1cc(C)ccc1C(=O)Cc1nccn1C.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is WYSZXYBBBWGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-5-11(13(8-10)18-3)12(17)9-14-15-6-7-16(14)2/h4-8H,9H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 106790241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).