2-[(E)-pent-2-enyl]-1H-imidazole

C8H12N2 — CID 57339818

IUPAC2-[(E)-pent-2-enyl]-1H-imidazole
SMILESCC/C=C/Cc1ncc[nH]1
InChIInChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b4-3+
InChIKeyMFTMTQRTJDPFFS-ONEGZZNKSA-N
MW136.20 g/mol
LogP1.92
Rot. Bonds3

About 2-[(E)-pent-2-enyl]-1H-imidazole

2-[(E)-pent-2-enyl]-1H-imidazole (PubChem CID 57339818) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-[(E)-pent-2-enyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-pent-2-enyl]-1H-imidazole
PubChem CID57339818
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-[(E)-pent-2-enyl]-1H-imidazole
SMILESCC/C=C/Cc1ncc[nH]1
InChIInChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b4-3+
InChIKeyMFTMTQRTJDPFFS-ONEGZZNKSA-N
XLogP1.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-pent-2-enyl]-1H-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 2-[(E)-pent-2-enyl]-1H-imidazole?
The IUPAC name of 2-[(E)-pent-2-enyl]-1H-imidazole (CID 57339818) is 2-[(E)-pent-2-enyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-pent-2-enyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-pent-2-enyl]-1H-imidazole is CC/C=C/Cc1ncc[nH]1.
What is the InChIKey of 2-[(E)-pent-2-enyl]-1H-imidazole?
The InChIKey is MFTMTQRTJDPFFS-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h3-4,6-7H,2,5H2,1H3,(H,9,10)/b4-3+.
What are the key properties of 2-[(E)-pent-2-enyl]-1H-imidazole?
2-[(E)-pent-2-enyl]-1H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-2-enyl]-1H-imidazole is sourced from PubChem (CID 57339818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).