2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole

C22H34N4O — CID 70464310

IUPAC2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)C(CCCCC)OC(CCCCC)C(=C)c1ncc[nH]1
InChIInChI=1S/C22H34N4O/c1-5-7-9-11-19(17(3)21-23-13-14-24-21)27-20(12-10-8-6-2)18(4)22-25-15-16-26-22/h13-16,19-20H,3-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGACBOSRRTCFZRA-UHFFFAOYSA-N
MW370.54 g/mol
LogP5.77
Rot. Bonds14

About 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole

2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole (PubChem CID 70464310) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole
PubChem CID70464310
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole
SMILESC=C(c1ncc[nH]1)C(CCCCC)OC(CCCCC)C(=C)c1ncc[nH]1
InChIInChI=1S/C22H34N4O/c1-5-7-9-11-19(17(3)21-23-13-14-24-21)27-20(12-10-8-6-2)18(4)22-25-15-16-26-22/h13-16,19-20H,3-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGACBOSRRTCFZRA-UHFFFAOYSA-N
XLogP5.77
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole with MolForge

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Related Compounds

1H-imidazole-2-carboxylic acid;tetradecylphosphane
CID 173201174
2-(3-pentylnonyl)-1H-imidazole
CID 130279651
2-hexan-2-yl-1H-imidazole
CID 54215570
2-(12-icosoxyoctadecyl)-1H-imidazole
CID 141072232
2-(1H-imidazole-2-carbonylamino)pentanoic acid
CID 167781868
1-(1H-imidazol-2-yl)-N-methylundecan-2-amine
CID 65450081
N-[2-(1H-imidazol-2-ylsulfanyl)ethyl]heptan-2-amine
CID 107782431
3-(1H-imidazol-2-ylmethyl)undecan-5-ol
CID 161238769
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
2-[(3R)-heptan-3-yl]-1H-imidazole
CID 129190322
2-decyl-1H-imidazole
CID 3089145
2-octyl-1H-imidazole
CID 18347297

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole?
The IUPAC name of 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole (CID 70464310) is 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole?
The canonical SMILES for 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole is C=C(c1ncc[nH]1)C(CCCCC)OC(CCCCC)C(=C)c1ncc[nH]1.
What is the InChIKey of 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole?
The InChIKey is GACBOSRRTCFZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-7-9-11-19(17(3)21-23-13-14-24-21)27-20(12-10-8-6-2)18(4)22-25-15-16-26-22/h13-16,19-20H,3-12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole?
2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole has a molecular weight of 370.54 g/mol, XLogP of 5.77, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1H-imidazol-2-yl)oct-1-en-3-yloxy]oct-1-en-2-yl]-1H-imidazole is sourced from PubChem (CID 70464310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).