5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole

C12H13BrN2O2 — CID 117188397

IUPAC5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
SMILESCOc1cccc(OCc2ncc(Br)n2C)c1
InChIInChI=1S/C12H13BrN2O2/c1-15-11(13)7-14-12(15)8-17-10-5-3-4-9(6-10)16-2/h3-7H,8H2,1-2H3
InChIKeyCCXACPNFPYJXLN-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.77
Rot. Bonds4

About 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole

5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole (PubChem CID 117188397) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
PubChem CID117188397
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
SMILESCOc1cccc(OCc2ncc(Br)n2C)c1
InChIInChI=1S/C12H13BrN2O2/c1-15-11(13)7-14-12(15)8-17-10-5-3-4-9(6-10)16-2/h3-7H,8H2,1-2H3
InChIKeyCCXACPNFPYJXLN-UHFFFAOYSA-N
XLogP2.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 117188254
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
3-[(3-methoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257007
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
1,5-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 117188379
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
2-[(3-methoxyphenoxy)methyl]-1-propan-2-ylimidazol-4-amine
CID 117187706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole?
The IUPAC name of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole (CID 117188397) is 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole.
What is the SMILES notation for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole?
The canonical SMILES for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole is COc1cccc(OCc2ncc(Br)n2C)c1.
What is the InChIKey of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole?
The InChIKey is CCXACPNFPYJXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-15-11(13)7-14-12(15)8-17-10-5-3-4-9(6-10)16-2/h3-7H,8H2,1-2H3.
What are the key properties of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole?
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole has a molecular weight of 297.15 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole is sourced from PubChem (CID 117188397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).