4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine

C9H14BrN3O — CID 117192727

IUPAC4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
SMILESCn1c(CN2CCOCC2)cnc1Br
InChIInChI=1S/C9H14BrN3O/c1-12-8(6-11-9(12)10)7-13-2-4-14-5-3-13/h6H,2-5,7H2,1H3
InChIKeyNTNABXQALGFKCR-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.01
Rot. Bonds2

About 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine

4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine (PubChem CID 117192727) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
PubChem CID117192727
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
SMILESCn1c(CN2CCOCC2)cnc1Br
InChIInChI=1S/C9H14BrN3O/c1-12-8(6-11-9(12)10)7-13-2-4-14-5-3-13/h6H,2-5,7H2,1H3
InChIKeyNTNABXQALGFKCR-UHFFFAOYSA-N
XLogP1.01
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylindol-2-yl)methyl]morpholine
CID 117173146
4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188541
1-methyl-5-(pyrrolidin-1-ylmethyl)imidazol-2-amine
CID 117192715
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
N-methyl-5-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 174619063
4-[[1-methyl-5-[(4-phenylpiperidin-1-yl)methyl]pyrrol-2-yl]methyl]morpholine
CID 11581161
4-[(5-methylpyrido[4,3-b]indol-3-yl)methyl]morpholine
CID 13316106
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride
CID 19861740
1-methyl-4-(morpholin-4-ylmethyl)pyrazol-5-amine
CID 79678428

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine (CID 117192727) is 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine is Cn1c(CN2CCOCC2)cnc1Br.
What is the InChIKey of 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine?
The InChIKey is NTNABXQALGFKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-12-8(6-11-9(12)10)7-13-2-4-14-5-3-13/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine?
4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine has a molecular weight of 260.13 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine is sourced from PubChem (CID 117192727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).