1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole

C17H14BrFN2 — CID 68802622

IUPAC1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole
SMILESCc1cc(Br)cc(C)c1-n1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2/c1-11-9-14(18)10-12(2)16(11)21-8-7-20-17(21)13-3-5-15(19)6-4-13/h3-10H,1-2H3
InChIKeyHTLRHSQMFIHAHG-UHFFFAOYSA-N
MW345.22 g/mol
LogP5.06
Rot. Bonds2

About 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole

1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole (PubChem CID 68802622) has the molecular formula C17H14BrFN2 and a molecular weight of 345.22 g/mol. Its IUPAC name is 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole.

Molecular Properties

Compound Name1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole
PubChem CID68802622
Molecular FormulaC17H14BrFN2
Molecular Weight345.22 g/mol
Exact Mass344.03
IUPAC Name1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole
SMILESCc1cc(Br)cc(C)c1-n1ccnc1-c1ccc(F)cc1
InChIInChI=1S/C17H14BrFN2/c1-11-9-14(18)10-12(2)16(11)21-8-7-20-17(21)13-3-5-15(19)6-4-13/h3-10H,1-2H3
InChIKeyHTLRHSQMFIHAHG-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.22
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole?
The IUPAC name of 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole (CID 68802622) is 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole.
What is the SMILES notation for 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole?
The canonical SMILES for 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole is Cc1cc(Br)cc(C)c1-n1ccnc1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole?
The InChIKey is HTLRHSQMFIHAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2/c1-11-9-14(18)10-12(2)16(11)21-8-7-20-17(21)13-3-5-15(19)6-4-13/h3-10H,1-2H3.
What are the key properties of 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole?
1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole has a molecular weight of 345.22 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-dimethylphenyl)-2-(4-fluorophenyl)imidazole is sourced from PubChem (CID 68802622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).