1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole

C16H10BrF3N2 — CID 59649631

IUPAC1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H10BrF3N2/c17-12-6-8-13(9-7-12)22-10-14(16(18,19)20)21-15(22)11-4-2-1-3-5-11/h1-10H
InChIKeyLIVXYKVFJBQWJB-UHFFFAOYSA-N
MW367.17 g/mol
LogP5.32
Rot. Bonds2

About 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole

1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole (PubChem CID 59649631) has the molecular formula C16H10BrF3N2 and a molecular weight of 367.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
PubChem CID59649631
Molecular FormulaC16H10BrF3N2
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole
SMILESFC(F)(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H10BrF3N2/c17-12-6-8-13(9-7-12)22-10-14(16(18,19)20)21-15(22)11-4-2-1-3-5-11/h1-10H
InChIKeyLIVXYKVFJBQWJB-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.17
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole (CID 59649631) is 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole is FC(F)(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
The InChIKey is LIVXYKVFJBQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N2/c17-12-6-8-13(9-7-12)22-10-14(16(18,19)20)21-15(22)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole?
1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole has a molecular weight of 367.17 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenyl-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 59649631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).