1-benzyl-4-ethenyl-2-methylimidazole

C13H14N2 — CID 16665128

IUPAC1-benzyl-4-ethenyl-2-methylimidazole
SMILESC=Cc1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C13H14N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeyDOBCFMFKQHQRSJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.88
Rot. Bonds3

About 1-benzyl-4-ethenyl-2-methylimidazole

1-benzyl-4-ethenyl-2-methylimidazole (PubChem CID 16665128) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-benzyl-4-ethenyl-2-methylimidazole.

Molecular Properties

Compound Name1-benzyl-4-ethenyl-2-methylimidazole
PubChem CID16665128
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-benzyl-4-ethenyl-2-methylimidazole
SMILESC=Cc1cn(Cc2ccccc2)c(C)n1
InChIInChI=1S/C13H14N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3
InChIKeyDOBCFMFKQHQRSJ-UHFFFAOYSA-N
XLogP2.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-ethenyl-2-methylimidazole?
The IUPAC name of 1-benzyl-4-ethenyl-2-methylimidazole (CID 16665128) is 1-benzyl-4-ethenyl-2-methylimidazole.
What is the SMILES notation for 1-benzyl-4-ethenyl-2-methylimidazole?
The canonical SMILES for 1-benzyl-4-ethenyl-2-methylimidazole is C=Cc1cn(Cc2ccccc2)c(C)n1.
What is the InChIKey of 1-benzyl-4-ethenyl-2-methylimidazole?
The InChIKey is DOBCFMFKQHQRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-3-13-10-15(11(2)14-13)9-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3.
What are the key properties of 1-benzyl-4-ethenyl-2-methylimidazole?
1-benzyl-4-ethenyl-2-methylimidazole has a molecular weight of 198.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-ethenyl-2-methylimidazole is sourced from PubChem (CID 16665128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).