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

C8H12N2 — CID 63810664

IUPAC2-methyl-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1C
InChIInChI=1S/C8H12N2/c1-7(2)6-10-5-4-9-8(10)3/h4-5H,1,6H2,2-3H3
InChIKeyQGUSTKZGYLBLJL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.77
Rot. Bonds2

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

2-methyl-1-(2-methylprop-2-enyl)imidazole (PubChem CID 63810664) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-2-enyl)imidazole.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-2-enyl)imidazole
PubChem CID63810664
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1C
InChIInChI=1S/C8H12N2/c1-7(2)6-10-5-4-9-8(10)3/h4-5H,1,6H2,2-3H3
InChIKeyQGUSTKZGYLBLJL-UHFFFAOYSA-N
XLogP1.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.77
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 2-methyl-1-(2-methylprop-2-enyl)imidazole?
The IUPAC name of 2-methyl-1-(2-methylprop-2-enyl)imidazole (CID 63810664) is 2-methyl-1-(2-methylprop-2-enyl)imidazole.
What is the SMILES notation for 2-methyl-1-(2-methylprop-2-enyl)imidazole?
The canonical SMILES for 2-methyl-1-(2-methylprop-2-enyl)imidazole is C=C(C)Cn1ccnc1C.
What is the InChIKey of 2-methyl-1-(2-methylprop-2-enyl)imidazole?
The InChIKey is QGUSTKZGYLBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)6-10-5-4-9-8(10)3/h4-5H,1,6H2,2-3H3.
What are the key properties of 2-methyl-1-(2-methylprop-2-enyl)imidazole?
2-methyl-1-(2-methylprop-2-enyl)imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-2-enyl)imidazole is sourced from PubChem (CID 63810664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).