1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone

C12H12N2O — CID 116880715

IUPAC1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccccc2C)[nH]1
InChIInChI=1S/C12H12N2O/c1-8-5-3-4-6-10(8)11-7-13-12(14-11)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyTUKBDBMAWCBMBM-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.59
Rot. Bonds2

About 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone

1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone (PubChem CID 116880715) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
PubChem CID116880715
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone
SMILESCC(=O)c1ncc(-c2ccccc2C)[nH]1
InChIInChI=1S/C12H12N2O/c1-8-5-3-4-6-10(8)11-7-13-12(14-11)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyTUKBDBMAWCBMBM-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
2-chloro-5-(2-methylphenyl)-1H-imidazole
CID 105446616
S-[[5-(2-methylphenyl)-1H-imidazol-2-yl]] N,N-dimethylcarbamothioate
CID 15052551
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620
1-[2-(2-methylphenyl)pyrimidin-5-yl]ethanone
CID 84782300
1-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880660
1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
CID 116880628
ethyl 5-(2-fluorophenyl)-1H-imidazole-2-carboxylate
CID 116883535
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60862791
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
CID 43651628
2-[2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetic acid
CID 82474265

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone?
The IUPAC name of 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone (CID 116880715) is 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone is CC(=O)c1ncc(-c2ccccc2C)[nH]1.
What is the InChIKey of 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone?
The InChIKey is TUKBDBMAWCBMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-5-3-4-6-10(8)11-7-13-12(14-11)9(2)15/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone?
1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone has a molecular weight of 200.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylphenyl)-1H-imidazol-2-yl]ethanone is sourced from PubChem (CID 116880715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).