methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate

C15H18N2O2 — CID 116880265

IUPACmethyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)15(11(3)6-9)12-8-16-13(17-12)7-14(18)19-4/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyZAYRFSGXLYWAIN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.72
Rot. Bonds3

About methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate

methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate (PubChem CID 116880265) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
PubChem CID116880265
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namemethyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate
SMILESCOC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1
InChIInChI=1S/C15H18N2O2/c1-9-5-10(2)15(11(3)6-9)12-8-16-13(17-12)7-14(18)19-4/h5-6,8H,7H2,1-4H3,(H,16,17)
InChIKeyZAYRFSGXLYWAIN-UHFFFAOYSA-N
XLogP2.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880786
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]acetic acid
CID 116878624
methyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]acetate
CID 116880248
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
N-[[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60852316
2-(2-chloroethyl)-5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole
CID 116878216
methyl 2-[4-(2,4,6-trimethylphenyl)phenyl]acetate
CID 143366295
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
2-amino-2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]ethanol
CID 116881587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate (CID 116880265) is methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate is COC(=O)Cc1ncc(-c2c(C)cc(C)cc2C)[nH]1.
What is the InChIKey of methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate?
The InChIKey is ZAYRFSGXLYWAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-10(2)15(11(3)6-9)12-8-16-13(17-12)7-14(18)19-4/h5-6,8H,7H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate?
methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate has a molecular weight of 258.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]acetate is sourced from PubChem (CID 116880265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).