1-ethenyl-2-undecyl-4,5-dihydroimidazole

C16H30N2 — CID 23287321

IUPAC1-ethenyl-2-undecyl-4,5-dihydroimidazole
SMILESC=CN1CCN=C1CCCCCCCCCCC
InChIInChI=1S/C16H30N2/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2/h4H,2-3,5-15H2,1H3
InChIKeyZBUHHBYWBKBQSW-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.76
Rot. Bonds11

About 1-ethenyl-2-undecyl-4,5-dihydroimidazole

1-ethenyl-2-undecyl-4,5-dihydroimidazole (PubChem CID 23287321) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-ethenyl-2-undecyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-ethenyl-2-undecyl-4,5-dihydroimidazole
PubChem CID23287321
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-ethenyl-2-undecyl-4,5-dihydroimidazole
SMILESC=CN1CCN=C1CCCCCCCCCCC
InChIInChI=1S/C16H30N2/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2/h4H,2-3,5-15H2,1H3
InChIKeyZBUHHBYWBKBQSW-UHFFFAOYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.76
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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Related Compounds

1-Methyl-2-pentadecyl-4,5-dihydroimidazole
CID 357128
2-Heptadecyl-N-methylimidazoline
CID 566930
N,N-diethyl-2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 14178102
1-Methyl-2-heptyl-2-imidazoline
CID 14651794
1-Methyl-2-undecyl-4,5-dihydroimidazole
CID 15158286
1-Propyl-2-undecyl-4,5-dihydroimidazole
CID 15158287
N,N-diethyl-2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 19825954
2-Heptadecyl-1,1-dipropyl-4,5-dihydroimidazol-1-ium
CID 20748337
2-Heptyl-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 21185431
1-Methyl-2-octyl-4,5-dihydroimidazole
CID 21449531
2-Heptadecyl-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 21567504
1-Ethenyl-2-propyl-4,5-dihydroimidazole
CID 21868042

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-undecyl-4,5-dihydroimidazole?
The IUPAC name of 1-ethenyl-2-undecyl-4,5-dihydroimidazole (CID 23287321) is 1-ethenyl-2-undecyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-ethenyl-2-undecyl-4,5-dihydroimidazole?
The canonical SMILES for 1-ethenyl-2-undecyl-4,5-dihydroimidazole is C=CN1CCN=C1CCCCCCCCCCC.
What is the InChIKey of 1-ethenyl-2-undecyl-4,5-dihydroimidazole?
The InChIKey is ZBUHHBYWBKBQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of 1-ethenyl-2-undecyl-4,5-dihydroimidazole?
1-ethenyl-2-undecyl-4,5-dihydroimidazole has a molecular weight of 250.43 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-undecyl-4,5-dihydroimidazole is sourced from PubChem (CID 23287321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).