2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

C15H18N2O2 — CID 82120993

IUPAC2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCc1ccc(OC(C)(C)C(=O)n2ccnc2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-5-6-13(12(2)9-11)19-15(3,4)14(18)17-8-7-16-10-17/h5-10H,1-4H3
InChIKeyVQTDZBPFHXSBED-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.00
Rot. Bonds3

About 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 82120993) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID82120993
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCc1ccc(OC(C)(C)C(=O)n2ccnc2)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-11-5-6-13(12(2)9-11)19-15(3,4)14(18)17-8-7-16-10-17/h5-10H,1-4H3
InChIKeyVQTDZBPFHXSBED-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120994
2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82122738
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
1-imidazol-1-yl-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 94273204
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
(2,4-dimethylphenyl) pyridine-4-carboxylate
CID 836824
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118869797
1-imidazol-1-yl-2-(3-methoxy-3-methylbutoxy)-2-methylpropan-1-one
CID 167225834
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337250
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (CID 82120993) is 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is Cc1ccc(OC(C)(C)C(=O)n2ccnc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is VQTDZBPFHXSBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-6-13(12(2)9-11)19-15(3,4)14(18)17-8-7-16-10-17/h5-10H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 82120993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).