4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole

C11H11BrN2O2 — CID 117189479

IUPAC4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
SMILESCOc1cccc(Oc2nc(Br)cn2C)c1
InChIInChI=1S/C11H11BrN2O2/c1-14-7-10(12)13-11(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3
InChIKeyWQTAIDXEMMWLDX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.98
Rot. Bonds3

About 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole

4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole (PubChem CID 117189479) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole.

Molecular Properties

Compound Name4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
PubChem CID117189479
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
SMILESCOc1cccc(Oc2nc(Br)cn2C)c1
InChIInChI=1S/C11H11BrN2O2/c1-14-7-10(12)13-11(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3
InChIKeyWQTAIDXEMMWLDX-UHFFFAOYSA-N
XLogP2.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-1-methylimidazole-4-carboxylic acid
CID 117189489
4-bromo-2-(3-methoxyphenoxy)-1,3-oxazole
CID 117188908
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
CID 117190732
2-(4-methoxyphenoxy)-1-methylimidazol-4-amine
CID 117189539
4-bromo-1-ethyl-2-(4-methoxyphenoxy)imidazole
CID 117189904
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole?
The IUPAC name of 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole (CID 117189479) is 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole.
What is the SMILES notation for 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole?
The canonical SMILES for 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole is COc1cccc(Oc2nc(Br)cn2C)c1.
What is the InChIKey of 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole?
The InChIKey is WQTAIDXEMMWLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-14-7-10(12)13-11(14)16-9-5-3-4-8(6-9)15-2/h3-7H,1-2H3.
What are the key properties of 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole?
4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole has a molecular weight of 283.12 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole is sourced from PubChem (CID 117189479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).