4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole

C10H15BrN2O2 — CID 129379720

IUPAC4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
SMILESBrc1cn(CCO[C@@H]2CCCCO2)cn1
InChIInChI=1S/C10H15BrN2O2/c11-9-7-13(8-12-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m1/s1
InChIKeyABUOGHFRDGOJHF-SNVBAGLBSA-N
MW275.15 g/mol
LogP2.19
Rot. Bonds4

About 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole

4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole (PubChem CID 129379720) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole.

Molecular Properties

Compound Name4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
PubChem CID129379720
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
SMILESBrc1cn(CCO[C@@H]2CCCCO2)cn1
InChIInChI=1S/C10H15BrN2O2/c11-9-7-13(8-12-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m1/s1
InChIKeyABUOGHFRDGOJHF-SNVBAGLBSA-N
XLogP2.19
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682
5-bromo-1-[2-(oxan-2-yloxy)ethyl]pyridin-2-one
CID 172614475
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
CID 59665437
cyclopropyl-[4-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazol-2-yl]methanol
CID 169042452
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
1,3-dimethyl-7-[2-(oxan-2-yloxy)ethyl]purine-2,6-dione
CID 129249496
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The IUPAC name of 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole (CID 129379720) is 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole.
What is the SMILES notation for 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The canonical SMILES for 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole is Brc1cn(CCO[C@@H]2CCCCO2)cn1.
What is the InChIKey of 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
The InChIKey is ABUOGHFRDGOJHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c11-9-7-13(8-12-9)4-6-15-10-3-1-2-5-14-10/h7-8,10H,1-6H2/t10-/m1/s1.
What are the key properties of 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole?
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole has a molecular weight of 275.15 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole is sourced from PubChem (CID 129379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).