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

C10H8BrFN2O — CID 65202906

IUPAC2-(4-bromo-3-fluorophenoxy)-1-methylimidazole
SMILESCn1ccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C10H8BrFN2O/c1-14-5-4-13-10(14)15-7-2-3-8(11)9(12)6-7/h2-6H,1H3
InChIKeyJBHJESNLSFYGCD-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.11
Rot. Bonds2

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

2-(4-bromo-3-fluorophenoxy)-1-methylimidazole (PubChem CID 65202906) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-1-methylimidazole
PubChem CID65202906
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name2-(4-bromo-3-fluorophenoxy)-1-methylimidazole
SMILESCn1ccnc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C10H8BrFN2O/c1-14-5-4-13-10(14)15-7-2-3-8(11)9(12)6-7/h2-6H,1H3
InChIKeyJBHJESNLSFYGCD-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-(4-bromophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol
CID 2953277
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-[5-(3-Bromophenoxy)pentyl]imidazole
CID 118733120
1-[2-(4-Bromophenoxy)ethyl]-1H-imidazole
CID 867248
1-(2-(3-Bromophenoxy)Ethyl)-1H-Imidazole
CID 803108
1-[6-(4-Bromophenoxy)hexyl]imidazole
CID 2843859
1-(4-(3-bromophenoxy)butyl)-1H-imidazole
CID 44586265
1-[4-(2-fluorophenoxy)butyl]-1H-imidazole
CID 2843880
2-[2-(4-Bromophenoxy)ethylsulfanyl]-1-methylimidazole;hydrobromide
CID 12381173
1-[2-(2-fluorophenoxy)ethyl]-1H-imidazole
CID 759829
Cambridge id 7012982
CID 803542

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole (CID 65202906) is 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole is Cn1ccnc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole?
The InChIKey is JBHJESNLSFYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-14-5-4-13-10(14)15-7-2-3-8(11)9(12)6-7/h2-6H,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole?
2-(4-bromo-3-fluorophenoxy)-1-methylimidazole has a molecular weight of 271.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-1-methylimidazole is sourced from PubChem (CID 65202906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).