3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one

C14H16N2O2 — CID 94265821

IUPAC3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
SMILESCCc1cccc(OCCC(=O)n2ccnc2)c1
InChIInChI=1S/C14H16N2O2/c1-2-12-4-3-5-13(10-12)18-9-6-14(17)16-8-7-15-11-16/h3-5,7-8,10-11H,2,6,9H2,1H3
InChIKeyNRJNZFUBWCXSMN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one

3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one (PubChem CID 94265821) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
PubChem CID94265821
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
SMILESCCc1cccc(OCCC(=O)n2ccnc2)c1
InChIInChI=1S/C14H16N2O2/c1-2-12-4-3-5-13(10-12)18-9-6-14(17)16-8-7-15-11-16/h3-5,7-8,10-11H,2,6,9H2,1H3
InChIKeyNRJNZFUBWCXSMN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one 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

3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
3-(4-ethoxyphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94273200
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
4-(3-bromophenoxy)-1-imidazol-1-ylbutan-1-one
CID 94321406
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
4-(3-ethylphenoxy)butanamide
CID 82040637
3-(3-ethylphenoxy)-1-phenylpropan-1-one
CID 116692020
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505
N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 70720863

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one (CID 94265821) is 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one is CCc1cccc(OCCC(=O)n2ccnc2)c1.
What is the InChIKey of 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one?
The InChIKey is NRJNZFUBWCXSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-12-4-3-5-13(10-12)18-9-6-14(17)16-8-7-15-11-16/h3-5,7-8,10-11H,2,6,9H2,1H3.
What are the key properties of 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one?
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 94265821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).