5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole

C18H26N4O — CID 69022515

IUPAC5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole
SMILESC=CC(CCCc1cnc[nH]1)OC(C=C)CCCc1cnc[nH]1
InChIInChI=1S/C18H26N4O/c1-3-17(9-5-7-15-11-19-13-21-15)23-18(4-2)10-6-8-16-12-20-14-22-16/h3-4,11-14,17-18H,1-2,5-10H2,(H,19,21)(H,20,22)
InChIKeySOTSYYCMZQCTKM-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds12

About 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole

5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole (PubChem CID 69022515) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole
PubChem CID69022515
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole
SMILESC=CC(CCCc1cnc[nH]1)OC(C=C)CCCc1cnc[nH]1
InChIInChI=1S/C18H26N4O/c1-3-17(9-5-7-15-11-19-13-21-15)23-18(4-2)10-6-8-16-12-20-14-22-16/h3-4,11-14,17-18H,1-2,5-10H2,(H,19,21)(H,20,22)
InChIKeySOTSYYCMZQCTKM-UHFFFAOYSA-N
XLogP3.60
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole?
The IUPAC name of 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole (CID 69022515) is 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole.
What is the SMILES notation for 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole?
The canonical SMILES for 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole is C=CC(CCCc1cnc[nH]1)OC(C=C)CCCc1cnc[nH]1.
What is the InChIKey of 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole?
The InChIKey is SOTSYYCMZQCTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-17(9-5-7-15-11-19-13-21-15)23-18(4-2)10-6-8-16-12-20-14-22-16/h3-4,11-14,17-18H,1-2,5-10H2,(H,19,21)(H,20,22).
What are the key properties of 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole?
5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole has a molecular weight of 314.43 g/mol, XLogP of 3.60, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-(1H-imidazol-5-yl)hex-1-en-3-yloxy]hex-5-enyl]-1H-imidazole is sourced from PubChem (CID 69022515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).