2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole

C16H11Br2FN2 — CID 155923481

IUPAC2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2-c2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C16H11Br2FN2/c1-10-2-4-12(9-14(10)18)21-7-6-20-16(21)13-8-11(17)3-5-15(13)19/h2-9H,1H3
InChIKeyBIZQVFACWPVWDN-UHFFFAOYSA-N
MW410.08 g/mol
LogP5.51
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole

2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole (PubChem CID 155923481) has the molecular formula C16H11Br2FN2 and a molecular weight of 410.08 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole
PubChem CID155923481
Molecular FormulaC16H11Br2FN2
Molecular Weight410.08 g/mol
Exact Mass407.93
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole
SMILESCc1ccc(-n2ccnc2-c2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C16H11Br2FN2/c1-10-2-4-12(9-14(10)18)21-7-6-20-16(21)13-8-11(17)3-5-15(13)19/h2-9H,1H3
InChIKeyBIZQVFACWPVWDN-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.08
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole (CID 155923481) is 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole is Cc1ccc(-n2ccnc2-c2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole?
The InChIKey is BIZQVFACWPVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2FN2/c1-10-2-4-12(9-14(10)18)21-7-6-20-16(21)13-8-11(17)3-5-15(13)19/h2-9H,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole?
2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole has a molecular weight of 410.08 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methylphenyl)imidazole is sourced from PubChem (CID 155923481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).