5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole

C12H13BrN2O2 — CID 117190732

IUPAC5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
SMILESCCn1c(Br)cnc1Oc1cccc(OC)c1
InChIInChI=1S/C12H13BrN2O2/c1-3-15-11(13)8-14-12(15)17-10-6-4-5-9(7-10)16-2/h4-8H,3H2,1-2H3
InChIKeyBUMMBHIEZJVPJU-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.47
Rot. Bonds4

About 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole

5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole (PubChem CID 117190732) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
PubChem CID117190732
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole
SMILESCCn1c(Br)cnc1Oc1cccc(OC)c1
InChIInChI=1S/C12H13BrN2O2/c1-3-15-11(13)8-14-12(15)17-10-6-4-5-9(7-10)16-2/h4-8H,3H2,1-2H3
InChIKeyBUMMBHIEZJVPJU-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658
1-ethyl-5-[(3-methoxyphenoxy)methyl]imidazol-2-amine
CID 117193067
5-(bromomethyl)-2-(3-methoxyphenoxy)pyrimidine
CID 107086798
4-bromo-2-(3-methoxyphenoxy)-1-methylimidazole
CID 117189479
2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
5-chloro-2-(3-methoxyphenoxy)pyrimidine
CID 71402141

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole?
The IUPAC name of 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole (CID 117190732) is 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole is CCn1c(Br)cnc1Oc1cccc(OC)c1.
What is the InChIKey of 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole?
The InChIKey is BUMMBHIEZJVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-3-15-11(13)8-14-12(15)17-10-6-4-5-9(7-10)16-2/h4-8H,3H2,1-2H3.
What are the key properties of 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole?
5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole has a molecular weight of 297.15 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-(3-methoxyphenoxy)imidazole is sourced from PubChem (CID 117190732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).