1-ethenyl-3-hexyl-2H-imidazole

C11H20N2 — CID 56998627

IUPAC1-ethenyl-3-hexyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-6-7-8-13-10-9-12(4-2)11-13/h4,9-10H,2-3,5-8,11H2,1H3
InChIKeyASLSLEAFSPLINE-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.76
Rot. Bonds6

About 1-ethenyl-3-hexyl-2H-imidazole

1-ethenyl-3-hexyl-2H-imidazole (PubChem CID 56998627) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-ethenyl-3-hexyl-2H-imidazole.

Molecular Properties

Compound Name1-ethenyl-3-hexyl-2H-imidazole
PubChem CID56998627
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-ethenyl-3-hexyl-2H-imidazole
SMILESC=CN1C=CN(CCCCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-6-7-8-13-10-9-12(4-2)11-13/h4,9-10H,2-3,5-8,11H2,1H3
InChIKeyASLSLEAFSPLINE-UHFFFAOYSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-hexyl-2H-imidazole?
The IUPAC name of 1-ethenyl-3-hexyl-2H-imidazole (CID 56998627) is 1-ethenyl-3-hexyl-2H-imidazole.
What is the SMILES notation for 1-ethenyl-3-hexyl-2H-imidazole?
The canonical SMILES for 1-ethenyl-3-hexyl-2H-imidazole is C=CN1C=CN(CCCCCC)C1.
What is the InChIKey of 1-ethenyl-3-hexyl-2H-imidazole?
The InChIKey is ASLSLEAFSPLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-7-8-13-10-9-12(4-2)11-13/h4,9-10H,2-3,5-8,11H2,1H3.
What are the key properties of 1-ethenyl-3-hexyl-2H-imidazole?
1-ethenyl-3-hexyl-2H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-hexyl-2H-imidazole is sourced from PubChem (CID 56998627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).