1-(2-methylprop-2-enyl)imidazole

C7H10N2 — CID 13045368

IUPAC1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1
InChIInChI=1S/C7H10N2/c1-7(2)5-9-4-3-8-6-9/h3-4,6H,1,5H2,2H3
InChIKeyWUDVWMMEWXYZOX-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.46
Rot. Bonds2

About 1-(2-methylprop-2-enyl)imidazole

1-(2-methylprop-2-enyl)imidazole (PubChem CID 13045368) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)imidazole.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)imidazole
PubChem CID13045368
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1
InChIInChI=1S/C7H10N2/c1-7(2)5-9-4-3-8-6-9/h3-4,6H,1,5H2,2H3
InChIKeyWUDVWMMEWXYZOX-UHFFFAOYSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)imidazole?
The IUPAC name of 1-(2-methylprop-2-enyl)imidazole (CID 13045368) is 1-(2-methylprop-2-enyl)imidazole.
What is the SMILES notation for 1-(2-methylprop-2-enyl)imidazole?
The canonical SMILES for 1-(2-methylprop-2-enyl)imidazole is C=C(C)Cn1ccnc1.
What is the InChIKey of 1-(2-methylprop-2-enyl)imidazole?
The InChIKey is WUDVWMMEWXYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)5-9-4-3-8-6-9/h3-4,6H,1,5H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)imidazole?
1-(2-methylprop-2-enyl)imidazole has a molecular weight of 122.17 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)imidazole is sourced from PubChem (CID 13045368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).