4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine

C9H14BrN3O — CID 59599441

IUPAC4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine
SMILESBrc1cn(CCN2CCOCC2)cn1
InChIInChI=1S/C9H14BrN3O/c10-9-7-13(8-11-9)2-1-12-3-5-14-6-4-12/h7-8H,1-6H2
InChIKeyCOEMCTLCWASVBF-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.98
Rot. Bonds3

About 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine

4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine (PubChem CID 59599441) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine
PubChem CID59599441
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine
SMILESBrc1cn(CCN2CCOCC2)cn1
InChIInChI=1S/C9H14BrN3O/c10-9-7-13(8-11-9)2-1-12-3-5-14-6-4-12/h7-8H,1-6H2
InChIKeyCOEMCTLCWASVBF-UHFFFAOYSA-N
XLogP0.98
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine (CID 59599441) is 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine is Brc1cn(CCN2CCOCC2)cn1.
What is the InChIKey of 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine?
The InChIKey is COEMCTLCWASVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c10-9-7-13(8-11-9)2-1-12-3-5-14-6-4-12/h7-8H,1-6H2.
What are the key properties of 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine?
4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine has a molecular weight of 260.13 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromoimidazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 59599441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).