1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone

C15H18N2O — CID 116880650

IUPAC1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1
InChIInChI=1S/C15H18N2O/c1-8-6-9(2)11(4)14(10(8)3)13-7-16-15(17-13)12(5)18/h6-7H,1-5H3,(H,16,17)
InChIKeyVYGBVVHWGKDYAD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.51
Rot. Bonds2

About 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone

1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880650) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
PubChem CID116880650
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1
InChIInChI=1S/C15H18N2O/c1-8-6-9(2)11(4)14(10(8)3)13-7-16-15(17-13)12(5)18/h6-7H,1-5H3,(H,16,17)
InChIKeyVYGBVVHWGKDYAD-UHFFFAOYSA-N
XLogP3.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-(2,3,5,6-tetramethylphenyl)-1H-imidazole-2-carboxylate
CID 116880350
1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880715
5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-amine
CID 82284738
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
1-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]ethanone
CID 116880680
1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880689
1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]ethanone
CID 116880631
5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878539
1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
CID 116880628
5-(2-carboxy-1H-imidazol-5-yl)-1H-imidazole-2-carboxylic acid
CID 90717286
1-[5-(fluoromethyl)-1H-imidazol-2-yl]ethanone
CID 84762691

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone (CID 116880650) is 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(-c2c(C)c(C)cc(C)c2C)[nH]1.
What is the InChIKey of 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is VYGBVVHWGKDYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-8-6-9(2)11(4)14(10(8)3)13-7-16-15(17-13)12(5)18/h6-7H,1-5H3,(H,16,17).
What are the key properties of 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone?
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).