1-imidazol-1-yl-2-(3-methylphenoxy)ethanone

C12H12N2O2 — CID 82113730

IUPAC1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)n2ccnc2)c1
InChIInChI=1S/C12H12N2O2/c1-10-3-2-4-11(7-10)16-8-12(15)14-6-5-13-9-14/h2-7,9H,8H2,1H3
InChIKeyUAEZWRCAHQQADK-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.91
Rot. Bonds3

About 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone

1-imidazol-1-yl-2-(3-methylphenoxy)ethanone (PubChem CID 82113730) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
PubChem CID82113730
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)n2ccnc2)c1
InChIInChI=1S/C12H12N2O2/c1-10-3-2-4-11(7-10)16-8-12(15)14-6-5-13-9-14/h2-7,9H,8H2,1H3
InChIKeyUAEZWRCAHQQADK-UHFFFAOYSA-N
XLogP1.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
4-(3-bromophenoxy)-1-imidazol-1-ylbutan-1-one
CID 94321406
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
1-(3-methylphenoxy)butan-2-one
CID 19100291
4-[4-(2-imidazol-1-yl-2-oxoethoxy)phenyl]-4-oxobutanoic acid
CID 44513962
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;hydrochloride
CID 71779972

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone (CID 82113730) is 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)n2ccnc2)c1.
What is the InChIKey of 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone?
The InChIKey is UAEZWRCAHQQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-10-3-2-4-11(7-10)16-8-12(15)14-6-5-13-9-14/h2-7,9H,8H2,1H3.
What are the key properties of 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone?
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone has a molecular weight of 216.24 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 82113730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).