4-(5-bromo-1-methylimidazol-2-yl)morpholine

C8H12BrN3O — CID 21097317

IUPAC4-(5-bromo-1-methylimidazol-2-yl)morpholine
SMILESCn1c(Br)cnc1N1CCOCC1
InChIInChI=1S/C8H12BrN3O/c1-11-7(9)6-10-8(11)12-2-4-13-5-3-12/h6H,2-5H2,1H3
InChIKeyDAEMMYLKTRZGFH-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.02
Rot. Bonds1

About 4-(5-bromo-1-methylimidazol-2-yl)morpholine

4-(5-bromo-1-methylimidazol-2-yl)morpholine (PubChem CID 21097317) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 4-(5-bromo-1-methylimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-1-methylimidazol-2-yl)morpholine
PubChem CID21097317
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name4-(5-bromo-1-methylimidazol-2-yl)morpholine
SMILESCn1c(Br)cnc1N1CCOCC1
InChIInChI=1S/C8H12BrN3O/c1-11-7(9)6-10-8(11)12-2-4-13-5-3-12/h6H,2-5H2,1H3
InChIKeyDAEMMYLKTRZGFH-UHFFFAOYSA-N
XLogP1.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-imidazole-1-carbonyl)morpholine
CID 5230546
5H,6H,8H-imidazo[2,1-c][1,4]oxazine
CID 21941433
1-(2-methoxyethyl)-1H-imidazole
CID 14366840
3-methyl-1-(morpholine-4-carbonyl)-1H-imidazol-3-ium iodide
CID 11220989
(5-bromo-1-methyl-1H-imidazol-2-yl)methanol
CID 23445171
4-bromo-1-(oxolan-3-yl)-1H-imidazole
CID 66520752
3-bromo-5H,6H,8H-imidazo[2,1-c][1,4]oxazine
CID 83681518
4-Bromo-1-methyl-1H-imidazole-2-methanol
CID 117187454
Imidazol-1-yl(morpholin-4-yl)methanethione
CID 12185736
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
2-Bromo-1-ethoxymethylimidazole
CID 2773257
4-{[1-(prop-2-yn-1-yl)-1H-imidazol-2-yl]methyl}morpholine
CID 13043020

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1-methylimidazol-2-yl)morpholine?
The IUPAC name of 4-(5-bromo-1-methylimidazol-2-yl)morpholine (CID 21097317) is 4-(5-bromo-1-methylimidazol-2-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-1-methylimidazol-2-yl)morpholine?
The canonical SMILES for 4-(5-bromo-1-methylimidazol-2-yl)morpholine is Cn1c(Br)cnc1N1CCOCC1.
What is the InChIKey of 4-(5-bromo-1-methylimidazol-2-yl)morpholine?
The InChIKey is DAEMMYLKTRZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-11-7(9)6-10-8(11)12-2-4-13-5-3-12/h6H,2-5H2,1H3.
What are the key properties of 4-(5-bromo-1-methylimidazol-2-yl)morpholine?
4-(5-bromo-1-methylimidazol-2-yl)morpholine has a molecular weight of 246.11 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1-methylimidazol-2-yl)morpholine is sourced from PubChem (CID 21097317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).