4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine

C9H13Br2N3O2 — CID 129085531

IUPAC4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine
SMILESCOCn1c(N2CCOCC2)nc(Br)c1Br
InChIInChI=1S/C9H13Br2N3O2/c1-15-6-14-8(11)7(10)12-9(14)13-2-4-16-5-3-13/h2-6H2,1H3
InChIKeyQOFBMXJSDMZKTQ-UHFFFAOYSA-N
MW355.03 g/mol
LogP1.85
Rot. Bonds3

About 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine

4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine (PubChem CID 129085531) has the molecular formula C9H13Br2N3O2 and a molecular weight of 355.03 g/mol. Its IUPAC name is 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine
PubChem CID129085531
Molecular FormulaC9H13Br2N3O2
Molecular Weight355.03 g/mol
Exact Mass352.94
IUPAC Name4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine
SMILESCOCn1c(N2CCOCC2)nc(Br)c1Br
InChIInChI=1S/C9H13Br2N3O2/c1-15-6-14-8(11)7(10)12-9(14)13-2-4-16-5-3-13/h2-6H2,1H3
InChIKeyQOFBMXJSDMZKTQ-UHFFFAOYSA-N
XLogP1.85
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.03
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine?
The IUPAC name of 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine (CID 129085531) is 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine.
What is the SMILES notation for 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine?
The canonical SMILES for 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine is COCn1c(N2CCOCC2)nc(Br)c1Br.
What is the InChIKey of 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine?
The InChIKey is QOFBMXJSDMZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2N3O2/c1-15-6-14-8(11)7(10)12-9(14)13-2-4-16-5-3-13/h2-6H2,1H3.
What are the key properties of 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine?
4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine has a molecular weight of 355.03 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dibromo-1-(methoxymethyl)imidazol-2-yl]morpholine is sourced from PubChem (CID 129085531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).