4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine

C11H18BrN3O — CID 117188541

IUPAC4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1c(Br)cnc1CN1CCOCC1
InChIInChI=1S/C11H18BrN3O/c1-9(2)15-10(12)7-13-11(15)8-14-3-5-16-6-4-14/h7,9H,3-6,8H2,1-2H3
InChIKeyHDMRDEPBIDCDIV-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.06
Rot. Bonds3

About 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine

4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine (PubChem CID 117188541) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
PubChem CID117188541
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1c(Br)cnc1CN1CCOCC1
InChIInChI=1S/C11H18BrN3O/c1-9(2)15-10(12)7-13-11(15)8-14-3-5-16-6-4-14/h7,9H,3-6,8H2,1-2H3
InChIKeyHDMRDEPBIDCDIV-UHFFFAOYSA-N
XLogP2.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188539
4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117187554
4-[(2-bromo-3-methylimidazol-4-yl)methyl]morpholine
CID 117192727
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216699
1-[(5-bromo-1-methylimidazol-2-yl)methyl]piperazine
CID 117188331
3-bromo-4-methyl-2-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2,5-diamine
CID 104506572
4-(pyrimidin-5-ylmethyl)morpholine
CID 130750424
4-[(2-bromo-3-pyridinyl)methyl]morpholine
CID 23438103
4-(4-bromo-1-propan-2-ylpyrazol-5-yl)morpholine
CID 175845603
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 154737586
4-[(4-bromo-3,5-dimethylphenyl)methyl]morpholine
CID 170919244

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine (CID 117188541) is 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine is CC(C)n1c(Br)cnc1CN1CCOCC1.
What is the InChIKey of 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The InChIKey is HDMRDEPBIDCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9(2)15-10(12)7-13-11(15)8-14-3-5-16-6-4-14/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine has a molecular weight of 288.19 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 117188541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).