1-(3-methylbut-2-enyl)imidazole

C8H12N2 — CID 57339814

IUPAC1-(3-methylbut-2-enyl)imidazole
SMILESCC(C)=CCn1ccnc1
InChIInChI=1S/C8H12N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyUYIIMFAYIHCQGY-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.85
Rot. Bonds2

About 1-(3-methylbut-2-enyl)imidazole

1-(3-methylbut-2-enyl)imidazole (PubChem CID 57339814) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)imidazole.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)imidazole
PubChem CID57339814
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(3-methylbut-2-enyl)imidazole
SMILESCC(C)=CCn1ccnc1
InChIInChI=1S/C8H12N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6-7H,5H2,1-2H3
InChIKeyUYIIMFAYIHCQGY-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-methylbut-2-enyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)imidazole?
The IUPAC name of 1-(3-methylbut-2-enyl)imidazole (CID 57339814) is 1-(3-methylbut-2-enyl)imidazole.
What is the SMILES notation for 1-(3-methylbut-2-enyl)imidazole?
The canonical SMILES for 1-(3-methylbut-2-enyl)imidazole is CC(C)=CCn1ccnc1.
What is the InChIKey of 1-(3-methylbut-2-enyl)imidazole?
The InChIKey is UYIIMFAYIHCQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2)3-5-10-6-4-9-7-10/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)imidazole?
1-(3-methylbut-2-enyl)imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)imidazole is sourced from PubChem (CID 57339814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).