2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

C15H18N2O2 — CID 82120994

IUPAC2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCc1cccc(OC(C)(C)C(=O)n2ccnc2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-6-5-7-13(12(11)2)19-15(3,4)14(18)17-9-8-16-10-17/h5-10H,1-4H3
InChIKeyRNCUJHJOXBCBQL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.00
Rot. Bonds3

About 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one

2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 82120994) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID82120994
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCc1cccc(OC(C)(C)C(=O)n2ccnc2)c1C
InChIInChI=1S/C15H18N2O2/c1-11-6-5-7-13(12(11)2)19-15(3,4)14(18)17-9-8-16-10-17/h5-10H,1-4H3
InChIKeyRNCUJHJOXBCBQL-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-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337288
1-imidazol-1-yl-2-(3-methoxy-3-methylbutoxy)-2-methylpropan-1-one
CID 167225834
bis(2,3-dimethylphenyl) carbonate
CID 23435013
(NE)-N-(1-imidazol-1-yl-2-methoxy-2-methylpropylidene)hydroxylamine
CID 88687891
imidazol-1-yl-(2-methyl-3-pyridinyl)methanone
CID 66563654
(2,3-dimethylphenyl) 4-tert-butylbenzoate
CID 4927352
2-(2,3-dimethylphenoxy)-2-methyl-1-[3-[(2S)-pyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]propan-1-one
CID 92622293
(2-propan-2-yloxyphenyl) imidazole-1-carboxylate
CID 68958363
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one (CID 82120994) is 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is Cc1cccc(OC(C)(C)C(=O)n2ccnc2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is RNCUJHJOXBCBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-5-7-13(12(11)2)19-15(3,4)14(18)17-9-8-16-10-17/h5-10H,1-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(2,3-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-(2,3-dimethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 82120994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).