1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone

C16H20N2O2 — CID 66154216

IUPAC1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cncn1C(C)C
InChIInChI=1S/C16H20N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11H,9H2,1-4H3
InChIKeyUNLLOJHWAJSYHG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.55
Rot. Bonds5

About 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone

1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 66154216) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
PubChem CID66154216
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCc1cncn1C(C)C
InChIInChI=1S/C16H20N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11H,9H2,1-4H3
InChIKeyUNLLOJHWAJSYHG-UHFFFAOYSA-N
XLogP3.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]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

1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154595
5-chloro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154784
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225
5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 107284312
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
CID 63651270
1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
CID 55151683
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanol
CID 79159019
2-methoxy-4-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66164345
4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]benzaldehyde
CID 66153443
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone (CID 66154216) is 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(C)cc1OCc1cncn1C(C)C.
What is the InChIKey of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is UNLLOJHWAJSYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)18-10-17-8-14(18)9-20-16-7-12(3)5-6-15(16)13(4)19/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone?
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 66154216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).