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

C11H18BrN3O — CID 117187554

IUPAC4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1cc(Br)nc1CN1CCOCC1
InChIInChI=1S/C11H18BrN3O/c1-9(2)15-7-10(12)13-11(15)8-14-3-5-16-6-4-14/h7,9H,3-6,8H2,1-2H3
InChIKeyDYCTWNLHYOSQNZ-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.06
Rot. Bonds3

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

4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine (PubChem CID 117187554) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
PubChem CID117187554
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
SMILESCC(C)n1cc(Br)nc1CN1CCOCC1
InChIInChI=1S/C11H18BrN3O/c1-9(2)15-7-10(12)13-11(15)8-14-3-5-16-6-4-14/h7,9H,3-6,8H2,1-2H3
InChIKeyDYCTWNLHYOSQNZ-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-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188541
1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine
CID 117187504
4-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117188539
4-[(5-methyl-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117185177
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
2-(piperazin-1-ylmethyl)-1-propan-2-ylimidazole-4-carboxylic acid
CID 117187557
4-[[2,6-di(propan-2-yl)pyrimidin-4-yl]methyl]morpholine
CID 138579238
1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117189663
4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
CID 117191298
3-(morpholin-4-ylmethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175764
4-[[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine
CID 129128460
4-(morpholin-4-ylmethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216699

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine (CID 117187554) is 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine is CC(C)n1cc(Br)nc1CN1CCOCC1.
What is the InChIKey of 4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
The InChIKey is DYCTWNLHYOSQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-9(2)15-7-10(12)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-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine?
4-[(4-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-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 117187554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).