2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole

C11H9BrF2N2O — CID 43088420

IUPAC2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1COc1ccc(Br)cc1
InChIInChI=1S/C11H9BrF2N2O/c12-8-1-3-9(4-2-8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2
InChIKeyOPXUTGJNKGTDQO-UHFFFAOYSA-N
MW303.11 g/mol
LogP3.62
Rot. Bonds4

About 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole

2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole (PubChem CID 43088420) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole.

Molecular Properties

Compound Name2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole
PubChem CID43088420
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole
SMILESFC(F)n1ccnc1COc1ccc(Br)cc1
InChIInChI=1S/C11H9BrF2N2O/c12-8-1-3-9(4-2-8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2
InChIKeyOPXUTGJNKGTDQO-UHFFFAOYSA-N
XLogP3.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
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-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[2-(4-bromo-2-chlorophenoxy)ethyl]-1H-imidazole
CID 803458
1-[2-(2-bromo-4-chlorophenoxy)ethyl]-1H-imidazole
CID 803768
1-[2-(4-ethoxyphenoxy)ethyl]-1H-imidazole
CID 803901
1-[2-(3-bromophenoxy)ethyl]-1H-imidazole oxalate
CID 2922672
1-{2-[2-(3-bromophenoxy)ethoxy]ethyl}-1H-imidazole oxalate
CID 2923628
1-[5-(3-Bromophenoxy)pentyl]imidazole
CID 118733120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole?
The IUPAC name of 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole (CID 43088420) is 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole.
What is the SMILES notation for 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole?
The canonical SMILES for 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole is FC(F)n1ccnc1COc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole?
The InChIKey is OPXUTGJNKGTDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c12-8-1-3-9(4-2-8)17-7-10-15-5-6-16(10)11(13)14/h1-6,11H,7H2.
What are the key properties of 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole?
2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole has a molecular weight of 303.11 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenoxy)methyl]-1-(difluoromethyl)imidazole is sourced from PubChem (CID 43088420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).