1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one

C13H16N2O2 — CID 102207415

IUPAC1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
SMILESCOc1cccc(C)c1-n1cc(C)n(C)c1=O
InChIInChI=1S/C13H16N2O2/c1-9-6-5-7-11(17-4)12(9)15-8-10(2)14(3)13(15)16/h5-8H,1-4H3
InChIKeyDQYIBZBZRSLVBR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds2

About 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one

1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one (PubChem CID 102207415) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
PubChem CID102207415
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one
SMILESCOc1cccc(C)c1-n1cc(C)n(C)c1=O
InChIInChI=1S/C13H16N2O2/c1-9-6-5-7-11(17-4)12(9)15-8-10(2)14(3)13(15)16/h5-8H,1-4H3
InChIKeyDQYIBZBZRSLVBR-UHFFFAOYSA-N
XLogP1.80
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
4-methoxy-1,2,3-trimethylcyclohepta[c]pyrrol-8-one
CID 804120
3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 54724185
7-methoxy-1,2-dimethylindole
CID 82279889
8-methoxy-1-methylquinolin-2-one
CID 742791
5-methoxy-1-methyl-3-(2-methylphenyl)quinazoline-2,4-dione
CID 132821169
3-(2-methoxyphenyl)-1,4-dimethylimidazol-2-one
CID 86043980
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
4-methoxy-1,3-dimethylbenzimidazol-2-one;oxolane
CID 143665951
3-(2-methoxy-6-methylphenyl)-1,2-dihydroimidazole
CID 141362869
1-(2-methoxy-6-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 171826299
4-[2-(3-fluorophenoxy)-6-methylphenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one
CID 139887241

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one?
The IUPAC name of 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one (CID 102207415) is 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one.
What is the SMILES notation for 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one?
The canonical SMILES for 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one is COc1cccc(C)c1-n1cc(C)n(C)c1=O.
What is the InChIKey of 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one?
The InChIKey is DQYIBZBZRSLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-6-5-7-11(17-4)12(9)15-8-10(2)14(3)13(15)16/h5-8H,1-4H3.
What are the key properties of 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one?
1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-6-methylphenyl)-3,4-dimethylimidazol-2-one is sourced from PubChem (CID 102207415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).