2-undec-2-enyl-4,5-dihydro-1H-imidazole

C14H26N2 — CID 70610091

IUPAC2-undec-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h9-10H,2-8,11-13H2,1H3,(H,15,16)
InChIKeyHEEFLCDOHQDZDD-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.68
Rot. Bonds9

About 2-undec-2-enyl-4,5-dihydro-1H-imidazole

2-undec-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 70610091) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-undec-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-undec-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID70610091
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-undec-2-enyl-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCC=CCC1=NCCN1
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h9-10H,2-8,11-13H2,1H3,(H,15,16)
InChIKeyHEEFLCDOHQDZDD-UHFFFAOYSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
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-undec-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-undec-2-enyl-4,5-dihydro-1H-imidazole (CID 70610091) is 2-undec-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-undec-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-undec-2-enyl-4,5-dihydro-1H-imidazole is CCCCCCCCC=CCC1=NCCN1.
What is the InChIKey of 2-undec-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is HEEFLCDOHQDZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-4-5-6-7-8-9-10-11-14-15-12-13-16-14/h9-10H,2-8,11-13H2,1H3,(H,15,16).
What are the key properties of 2-undec-2-enyl-4,5-dihydro-1H-imidazole?
2-undec-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-undec-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70610091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).