4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine

C17H23N3O2 — CID 56718367

IUPAC4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine
SMILESc1ccc(-c2ncc[nH]2)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C17H23N3O2/c1-2-6-16(15(5-1)17-18-7-8-19-17)22-12-4-3-9-20-10-13-21-14-11-20/h1-2,5-8H,3-4,9-14H2,(H,18,19)
InChIKeyYNVDWOVHWZUFIE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.57
Rot. Bonds7

About 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine

4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine (PubChem CID 56718367) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine
PubChem CID56718367
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine
SMILESc1ccc(-c2ncc[nH]2)c(OCCCCN2CCOCC2)c1
InChIInChI=1S/C17H23N3O2/c1-2-6-16(15(5-1)17-18-7-8-19-17)22-12-4-3-9-20-10-13-21-14-11-20/h1-2,5-8H,3-4,9-14H2,(H,18,19)
InChIKeyYNVDWOVHWZUFIE-UHFFFAOYSA-N
XLogP2.57
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine?
The IUPAC name of 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine (CID 56718367) is 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine.
What is the SMILES notation for 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine?
The canonical SMILES for 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine is c1ccc(-c2ncc[nH]2)c(OCCCCN2CCOCC2)c1.
What is the InChIKey of 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine?
The InChIKey is YNVDWOVHWZUFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-6-16(15(5-1)17-18-7-8-19-17)22-12-4-3-9-20-10-13-21-14-11-20/h1-2,5-8H,3-4,9-14H2,(H,18,19).
What are the key properties of 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine?
4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-imidazol-2-yl)phenoxy]butyl]morpholine is sourced from PubChem (CID 56718367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).