4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one

C13H16N2O2 — CID 116879765

IUPAC4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one
SMILESCOc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(C)c1C
InChIInChI=1S/C13H16N2O2/c1-7-5-11(17-4)8(2)9(3)12(7)10-6-14-13(16)15-10/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyXWLYDWZXIASFAU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.30
Rot. Bonds2

About 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one

4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one (PubChem CID 116879765) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one
PubChem CID116879765
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one
SMILESCOc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(C)c1C
InChIInChI=1S/C13H16N2O2/c1-7-5-11(17-4)8(2)9(3)12(7)10-6-14-13(16)15-10/h5-6H,1-4H3,(H2,14,15,16)
InChIKeyXWLYDWZXIASFAU-UHFFFAOYSA-N
XLogP2.30
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazole-2-thione
CID 116879627
4-(2,4-dimethoxy-6-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879754
4-(2,4,5-trimethylphenyl)-1,3-dihydroimidazol-2-one
CID 116879708
5-(4-methoxy-2,3,6-trimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828197
4-(2-methoxy-4,6-dimethylphenyl)-1,3-dihydroimidazole-2-thione
CID 116879602
6-methoxy-5,8-dimethyl-2H-isoquinolin-1-one
CID 82276334
1,2,3-trimethoxy-5-methyl-4-(2,3,4-trimethoxy-6-methylphenyl)benzene
CID 20758550
6,7-dimethoxy-4-methyl-2H-isoquinolin-1-one
CID 167049433
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
4-(4-fluoro-3-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879646
5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-1,2-oxazole
CID 116869004
2-(4-methoxy-2,3,6-trimethylphenyl)-4,5-dimethyl-1,3-thiazole
CID 116887692

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one (CID 116879765) is 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one is COc1cc(C)c(-c2c[nH]c(=O)[nH]2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is XWLYDWZXIASFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-7-5-11(17-4)8(2)9(3)12(7)10-6-14-13(16)15-10/h5-6H,1-4H3,(H2,14,15,16).
What are the key properties of 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one?
4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3,6-trimethylphenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 116879765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).