1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole

C16H9BrF4N2 — CID 59649602

IUPAC1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
SMILESFc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br
InChIInChI=1S/C16H9BrF4N2/c17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-9H
InChIKeyMYOGUXITNUTPOJ-UHFFFAOYSA-N
MW385.16 g/mol
LogP5.46
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole

1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole (PubChem CID 59649602) has the molecular formula C16H9BrF4N2 and a molecular weight of 385.16 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
PubChem CID59649602
Molecular FormulaC16H9BrF4N2
Molecular Weight385.16 g/mol
Exact Mass383.99
IUPAC Name1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
SMILESFc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br
InChIInChI=1S/C16H9BrF4N2/c17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-9H
InChIKeyMYOGUXITNUTPOJ-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.16
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole (CID 59649602) is 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole is Fc1cc(-n2cc(C(F)(F)F)nc2-c2ccccc2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The InChIKey is MYOGUXITNUTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF4N2/c17-12-7-6-11(8-13(12)18)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole has a molecular weight of 385.16 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-2-phenyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 59649602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).