1-ethenyl-2-undecylimidazole;quinoline

C25H35N3 — CID 174353868

IUPAC1-ethenyl-2-undecylimidazole;quinoline
SMILESC=Cn1ccnc1CCCCCCCCCCC.c1ccc2ncccc2c1
InChIInChI=1S/C16H28N2.C9H7N/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h4,14-15H,2-3,5-13H2,1H3;1-7H
InChIKeyJBSOOFFTQZQWNR-UHFFFAOYSA-N
MW377.58 g/mol
LogP7.29
Rot. Bonds11

About 1-ethenyl-2-undecylimidazole;quinoline

1-ethenyl-2-undecylimidazole;quinoline (PubChem CID 174353868) has the molecular formula C25H35N3 and a molecular weight of 377.58 g/mol. Its IUPAC name is 1-ethenyl-2-undecylimidazole;quinoline.

Molecular Properties

Compound Name1-ethenyl-2-undecylimidazole;quinoline
PubChem CID174353868
Molecular FormulaC25H35N3
Molecular Weight377.58 g/mol
Exact Mass377.28
IUPAC Name1-ethenyl-2-undecylimidazole;quinoline
SMILESC=Cn1ccnc1CCCCCCCCCCC.c1ccc2ncccc2c1
InChIInChI=1S/C16H28N2.C9H7N/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h4,14-15H,2-3,5-13H2,1H3;1-7H
InChIKeyJBSOOFFTQZQWNR-UHFFFAOYSA-N
XLogP7.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.58
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-octyl-1,2-thiazole;quinoline
CID 174933625
2-octadecyl-1H-imidazole;quinoline
CID 174817788
propan-1-ol;quinoline
CID 160910097
prop-1-ene;quinoline
CID 159640565
2-(1-methylimidazol-2-yl)ethanol;quinoline;hydrochloride
CID 174919977
nonanoic acid;quinoline
CID 173189008
2-octyl-1-phenylimidazole
CID 70493166
pentylhydrazine;quinoline
CID 175186682
1-decyl-3-methyl-2H-imidazole;quinoline
CID 174548423
1-hexyl-3-methyl-2H-imidazole;quinoline
CID 159990969
2-(1-butyl-2-icosylimidazol-1-ium-1-yl)ethanol;quinoline;bromide
CID 174802996
quinoline
CID 76974643

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-undecylimidazole;quinoline?
The IUPAC name of 1-ethenyl-2-undecylimidazole;quinoline (CID 174353868) is 1-ethenyl-2-undecylimidazole;quinoline.
What is the SMILES notation for 1-ethenyl-2-undecylimidazole;quinoline?
The canonical SMILES for 1-ethenyl-2-undecylimidazole;quinoline is C=Cn1ccnc1CCCCCCCCCCC.c1ccc2ncccc2c1.
What is the InChIKey of 1-ethenyl-2-undecylimidazole;quinoline?
The InChIKey is JBSOOFFTQZQWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2.C9H7N/c1-3-5-6-7-8-9-10-11-12-13-16-17-14-15-18(16)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h4,14-15H,2-3,5-13H2,1H3;1-7H.
What are the key properties of 1-ethenyl-2-undecylimidazole;quinoline?
1-ethenyl-2-undecylimidazole;quinoline has a molecular weight of 377.58 g/mol, XLogP of 7.29, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-undecylimidazole;quinoline is sourced from PubChem (CID 174353868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).