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

C9H14N2 — CID 63810675

IUPAC2-ethyl-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1CC
InChIInChI=1S/C9H14N2/c1-4-9-10-5-6-11(9)7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyZDBNXQVTGWJCHQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.02
Rot. Bonds3

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

2-ethyl-1-(2-methylprop-2-enyl)imidazole (PubChem CID 63810675) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylprop-2-enyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(2-methylprop-2-enyl)imidazole
PubChem CID63810675
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethyl-1-(2-methylprop-2-enyl)imidazole
SMILESC=C(C)Cn1ccnc1CC
InChIInChI=1S/C9H14N2/c1-4-9-10-5-6-11(9)7-8(2)3/h5-6H,2,4,7H2,1,3H3
InChIKeyZDBNXQVTGWJCHQ-UHFFFAOYSA-N
XLogP2.02
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.02
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-ethyl-1-(2-methylprop-2-enyl)imidazole?
The IUPAC name of 2-ethyl-1-(2-methylprop-2-enyl)imidazole (CID 63810675) is 2-ethyl-1-(2-methylprop-2-enyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(2-methylprop-2-enyl)imidazole?
The canonical SMILES for 2-ethyl-1-(2-methylprop-2-enyl)imidazole is C=C(C)Cn1ccnc1CC.
What is the InChIKey of 2-ethyl-1-(2-methylprop-2-enyl)imidazole?
The InChIKey is ZDBNXQVTGWJCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9-10-5-6-11(9)7-8(2)3/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 2-ethyl-1-(2-methylprop-2-enyl)imidazole?
2-ethyl-1-(2-methylprop-2-enyl)imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylprop-2-enyl)imidazole is sourced from PubChem (CID 63810675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).