1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone

C14H16N2O2 — CID 114527954

IUPAC1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-11(17)12-5-3-4-6-13(12)18-10-7-14-15-8-9-16(14)2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyQRYYBTWXJVEDNF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.24
Rot. Bonds5

About 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone

1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone (PubChem CID 114527954) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
PubChem CID114527954
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCc1nccn1C
InChIInChI=1S/C14H16N2O2/c1-11(17)12-5-3-4-6-13(12)18-10-7-14-15-8-9-16(14)2/h3-6,8-9H,7,10H2,1-2H3
InChIKeyQRYYBTWXJVEDNF-UHFFFAOYSA-N
XLogP2.24
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NZ)-N-[1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propylidene]hydroxylamine
CID 114528141
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114527122
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
1-[2-(2-acetylphenoxy)ethyl]pyrimidine-2,4-dione
CID 62023562
1-[2-(2-pyrimidin-4-ylsulfanylethoxy)phenyl]ethanone
CID 63696062
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone (CID 114527954) is 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCc1nccn1C.
What is the InChIKey of 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone?
The InChIKey is QRYYBTWXJVEDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(17)12-5-3-4-6-13(12)18-10-7-14-15-8-9-16(14)2/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 114527954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).