2-heptadec-2-enyl-1-propan-2-ylimidazole

C23H42N2 — CID 54472853

IUPAC2-heptadec-2-enyl-1-propan-2-ylimidazole
SMILESCCCCCCCCCCCCCCC=CCc1nccn1C(C)C
InChIInChI=1S/C23H42N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h17-18,20-22H,4-16,19H2,1-3H3
InChIKeyXJNCAOOELLTLNH-UHFFFAOYSA-N
MW346.60 g/mol
LogP7.65
Rot. Bonds16

About 2-heptadec-2-enyl-1-propan-2-ylimidazole

2-heptadec-2-enyl-1-propan-2-ylimidazole (PubChem CID 54472853) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-heptadec-2-enyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-heptadec-2-enyl-1-propan-2-ylimidazole
PubChem CID54472853
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name2-heptadec-2-enyl-1-propan-2-ylimidazole
SMILESCCCCCCCCCCCCCCC=CCc1nccn1C(C)C
InChIInChI=1S/C23H42N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h17-18,20-22H,4-16,19H2,1-3H3
InChIKeyXJNCAOOELLTLNH-UHFFFAOYSA-N
XLogP7.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-heptadec-2-enyl-1-propan-2-ylimidazole?
The IUPAC name of 2-heptadec-2-enyl-1-propan-2-ylimidazole (CID 54472853) is 2-heptadec-2-enyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-heptadec-2-enyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-heptadec-2-enyl-1-propan-2-ylimidazole is CCCCCCCCCCCCCCC=CCc1nccn1C(C)C.
What is the InChIKey of 2-heptadec-2-enyl-1-propan-2-ylimidazole?
The InChIKey is XJNCAOOELLTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24-20-21-25(23)22(2)3/h17-18,20-22H,4-16,19H2,1-3H3.
What are the key properties of 2-heptadec-2-enyl-1-propan-2-ylimidazole?
2-heptadec-2-enyl-1-propan-2-ylimidazole has a molecular weight of 346.60 g/mol, XLogP of 7.65, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadec-2-enyl-1-propan-2-ylimidazole is sourced from PubChem (CID 54472853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).