1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole

C10H8BrFN2O — CID 70007746

IUPAC1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole
SMILESCOc1cn(-c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C10H8BrFN2O/c1-15-10-5-14(6-13-10)9-3-7(11)2-8(12)4-9/h2-6H,1H3
InChIKeyDYVVCJMZUCDCGH-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.78
Rot. Bonds2

About 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole

1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole (PubChem CID 70007746) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole
PubChem CID70007746
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole
SMILESCOc1cn(-c2cc(F)cc(Br)c2)cn1
InChIInChI=1S/C10H8BrFN2O/c1-15-10-5-14(6-13-10)9-3-7(11)2-8(12)4-9/h2-6H,1H3
InChIKeyDYVVCJMZUCDCGH-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole (CID 70007746) is 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole is COc1cn(-c2cc(F)cc(Br)c2)cn1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole?
The InChIKey is DYVVCJMZUCDCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-15-10-5-14(6-13-10)9-3-7(11)2-8(12)4-9/h2-6H,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole?
1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole has a molecular weight of 271.09 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4-methoxyimidazole is sourced from PubChem (CID 70007746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).