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

C10H18N2 — CID 23154601

IUPAC1-butyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CCCC)C1
InChIInChI=1S/C10H18N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h4,8-9H,2-3,5-7,10H2,1H3
InChIKeySCYGNSGTXSSENH-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds5

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

1-butyl-3-prop-2-enyl-2H-imidazole (PubChem CID 23154601) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-butyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-prop-2-enyl-2H-imidazole
PubChem CID23154601
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-butyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(CCCC)C1
InChIInChI=1S/C10H18N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h4,8-9H,2-3,5-7,10H2,1H3
InChIKeySCYGNSGTXSSENH-UHFFFAOYSA-N
XLogP2.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
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 1-butyl-3-prop-2-enyl-2H-imidazole?
The IUPAC name of 1-butyl-3-prop-2-enyl-2H-imidazole (CID 23154601) is 1-butyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(CCCC)C1.
What is the InChIKey of 1-butyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is SCYGNSGTXSSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-7-12-9-8-11(10-12)6-4-2/h4,8-9H,2-3,5-7,10H2,1H3.
What are the key properties of 1-butyl-3-prop-2-enyl-2H-imidazole?
1-butyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 23154601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).