4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole

C14H16N2 — CID 54497734

IUPAC4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole
SMILESCc1ccc(C)c(C=Cc2nc[nH]c2C)c1
InChIInChI=1S/C14H16N2/c1-10-4-5-11(2)13(8-10)6-7-14-12(3)15-9-16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyYAHQKJMILNCCMA-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.51
Rot. Bonds2

About 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole

4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole (PubChem CID 54497734) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole
PubChem CID54497734
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole
SMILESCc1ccc(C)c(C=Cc2nc[nH]c2C)c1
InChIInChI=1S/C14H16N2/c1-10-4-5-11(2)13(8-10)6-7-14-12(3)15-9-16-14/h4-9H,1-3H3,(H,15,16)
InChIKeyYAHQKJMILNCCMA-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole (CID 54497734) is 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole is Cc1ccc(C)c(C=Cc2nc[nH]c2C)c1.
What is the InChIKey of 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole?
The InChIKey is YAHQKJMILNCCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-10-4-5-11(2)13(8-10)6-7-14-12(3)15-9-16-14/h4-9H,1-3H3,(H,15,16).
What are the key properties of 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole?
4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dimethylphenyl)ethenyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 54497734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).