2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole

C26H50N2 — CID 69115158

IUPAC2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1CCCCCC
InChIInChI=1S/C26H50N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-27-23-25-28(26)24-21-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3
InChIKeyZCJXHBXBXBEYOR-UHFFFAOYSA-N
MW390.70 g/mol
LogP8.32
Rot. Bonds20

About 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole

2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole (PubChem CID 69115158) has the molecular formula C26H50N2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole
PubChem CID69115158
Molecular FormulaC26H50N2
Molecular Weight390.70 g/mol
Exact Mass390.40
IUPAC Name2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole
SMILESCCCCCCCCCCCCCCCC=CC1=NCCN1CCCCCC
InChIInChI=1S/C26H50N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-27-23-25-28(26)24-21-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3
InChIKeyZCJXHBXBXBEYOR-UHFFFAOYSA-N
XLogP8.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 58.32
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 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole?
The IUPAC name of 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole (CID 69115158) is 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole?
The canonical SMILES for 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole is CCCCCCCCCCCCCCCC=CC1=NCCN1CCCCCC.
What is the InChIKey of 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole?
The InChIKey is ZCJXHBXBXBEYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-27-23-25-28(26)24-21-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3.
What are the key properties of 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole?
2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole has a molecular weight of 390.70 g/mol, XLogP of 8.32, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadec-1-enyl-1-hexyl-4,5-dihydroimidazole is sourced from PubChem (CID 69115158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).