2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

C15H18N2O2 — CID 82120984

IUPAC2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCCc1cccc(OC(C)(C)C(=O)n2ccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-4-12-6-5-7-13(10-12)19-15(2,3)14(18)17-9-8-16-11-17/h5-11H,4H2,1-3H3
InChIKeyFTWHMHLJNZAIDQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 82120984) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID82120984
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCCc1cccc(OC(C)(C)C(=O)n2ccnc2)c1
InChIInChI=1S/C15H18N2O2/c1-4-12-6-5-7-13(10-12)19-15(2,3)14(18)17-9-8-16-11-17/h5-11H,4H2,1-3H3
InChIKeyFTWHMHLJNZAIDQ-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-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

2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82122738
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120994
2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120993
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
2-[[2-(3-ethylphenoxy)-2-methylpropanoyl]amino]propanoic acid
CID 82043618
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 110464807
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
1-imidazol-1-yl-2-(3-methoxy-3-methylbutoxy)-2-methylpropan-1-one
CID 167225834
1-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-methyl-2-(3-methylphenoxy)propan-1-one
CID 135099359

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (CID 82120984) is 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is CCc1cccc(OC(C)(C)C(=O)n2ccnc2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is FTWHMHLJNZAIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-12-6-5-7-13(10-12)19-15(2,3)14(18)17-9-8-16-11-17/h5-11H,4H2,1-3H3.
What are the key properties of 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 82120984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).