1-but-2-enyl-3-butyl-2H-imidazole

C11H20N2 — CID 68592499

IUPAC1-but-2-enyl-3-butyl-2H-imidazole
SMILESCC=CCN1C=CN(CCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h3,5,9-10H,4,6-8,11H2,1-2H3
InChIKeyRTNOAEVYFFONIP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds5

About 1-but-2-enyl-3-butyl-2H-imidazole

1-but-2-enyl-3-butyl-2H-imidazole (PubChem CID 68592499) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-but-2-enyl-3-butyl-2H-imidazole.

Molecular Properties

Compound Name1-but-2-enyl-3-butyl-2H-imidazole
PubChem CID68592499
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-but-2-enyl-3-butyl-2H-imidazole
SMILESCC=CCN1C=CN(CCCC)C1
InChIInChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h3,5,9-10H,4,6-8,11H2,1-2H3
InChIKeyRTNOAEVYFFONIP-UHFFFAOYSA-N
XLogP2.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
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 1-but-2-enyl-3-butyl-2H-imidazole?
The IUPAC name of 1-but-2-enyl-3-butyl-2H-imidazole (CID 68592499) is 1-but-2-enyl-3-butyl-2H-imidazole.
What is the SMILES notation for 1-but-2-enyl-3-butyl-2H-imidazole?
The canonical SMILES for 1-but-2-enyl-3-butyl-2H-imidazole is CC=CCN1C=CN(CCCC)C1.
What is the InChIKey of 1-but-2-enyl-3-butyl-2H-imidazole?
The InChIKey is RTNOAEVYFFONIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-12-9-10-13(11-12)8-6-4-2/h3,5,9-10H,4,6-8,11H2,1-2H3.
What are the key properties of 1-but-2-enyl-3-butyl-2H-imidazole?
1-but-2-enyl-3-butyl-2H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enyl-3-butyl-2H-imidazole is sourced from PubChem (CID 68592499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).