4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine

C19H26N4O2 — CID 56905812

IUPAC4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
SMILESC=CCCC(CN1CCOCC1)Oc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C19H26N4O2/c1-2-3-4-18(15-22-9-11-24-12-10-22)25-19-6-5-17(13-21-19)14-23-8-7-20-16-23/h2,5-8,13,16,18H,1,3-4,9-12,14-15H2
InChIKeyAIVOQDOPAPJROC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.37
Rot. Bonds9

About 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine

4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine (PubChem CID 56905812) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
PubChem CID56905812
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine
SMILESC=CCCC(CN1CCOCC1)Oc1ccc(Cn2ccnc2)cn1
InChIInChI=1S/C19H26N4O2/c1-2-3-4-18(15-22-9-11-24-12-10-22)25-19-6-5-17(13-21-19)14-23-8-7-20-16-23/h2,5-8,13,16,18H,1,3-4,9-12,14-15H2
InChIKeyAIVOQDOPAPJROC-UHFFFAOYSA-N
XLogP2.37
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The IUPAC name of 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine (CID 56905812) is 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine.
What is the SMILES notation for 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The canonical SMILES for 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine is C=CCCC(CN1CCOCC1)Oc1ccc(Cn2ccnc2)cn1.
What is the InChIKey of 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
The InChIKey is AIVOQDOPAPJROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-4-18(15-22-9-11-24-12-10-22)25-19-6-5-17(13-21-19)14-23-8-7-20-16-23/h2,5-8,13,16,18H,1,3-4,9-12,14-15H2.
What are the key properties of 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine?
4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine has a molecular weight of 342.44 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(imidazol-1-ylmethyl)-2-pyridinyl]oxy]hex-5-enyl]morpholine is sourced from PubChem (CID 56905812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).