2-(2-bromo-4-fluorophenyl)-1-methylimidazole

C10H8BrFN2 — CID 141359044

IUPAC2-(2-bromo-4-fluorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(F)cc1Br
InChIInChI=1S/C10H8BrFN2/c1-14-5-4-13-10(14)8-3-2-7(12)6-9(8)11/h2-6H,1H3
InChIKeyQDUJEDBZKBHVDR-UHFFFAOYSA-N
MW255.09 g/mol
LogP2.99
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-1-methylimidazole

2-(2-bromo-4-fluorophenyl)-1-methylimidazole (PubChem CID 141359044) has the molecular formula C10H8BrFN2 and a molecular weight of 255.09 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-methylimidazole
PubChem CID141359044
Molecular FormulaC10H8BrFN2
Molecular Weight255.09 g/mol
Exact Mass253.99
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-methylimidazole
SMILESCn1ccnc1-c1ccc(F)cc1Br
InChIInChI=1S/C10H8BrFN2/c1-14-5-4-13-10(14)8-3-2-7(12)6-9(8)11/h2-6H,1H3
InChIKeyQDUJEDBZKBHVDR-UHFFFAOYSA-N
XLogP2.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.09
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-methylimidazole?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-methylimidazole (CID 141359044) is 2-(2-bromo-4-fluorophenyl)-1-methylimidazole.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-methylimidazole?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-methylimidazole is Cn1ccnc1-c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-methylimidazole?
The InChIKey is QDUJEDBZKBHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2/c1-14-5-4-13-10(14)8-3-2-7(12)6-9(8)11/h2-6H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-methylimidazole?
2-(2-bromo-4-fluorophenyl)-1-methylimidazole has a molecular weight of 255.09 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-methylimidazole is sourced from PubChem (CID 141359044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).