1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole

C16H11BrF4N2 — CID 71130029

IUPAC1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFc1cc(Br)ccc1N1CC(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H11BrF4N2/c17-11-6-7-13(12(18)8-11)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyKBNOUPYJJDOWHU-UHFFFAOYSA-N
MW387.17 g/mol
LogP4.79
Rot. Bonds2

About 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole

1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole (PubChem CID 71130029) has the molecular formula C16H11BrF4N2 and a molecular weight of 387.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
PubChem CID71130029
Molecular FormulaC16H11BrF4N2
Molecular Weight387.17 g/mol
Exact Mass386.00
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole
SMILESFc1cc(Br)ccc1N1CC(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C16H11BrF4N2/c17-11-6-7-13(12(18)8-11)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-8,14H,9H2
InChIKeyKBNOUPYJJDOWHU-UHFFFAOYSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.17
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole (CID 71130029) is 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole is Fc1cc(Br)ccc1N1CC(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
The InChIKey is KBNOUPYJJDOWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF4N2/c17-11-6-7-13(12(18)8-11)23-9-14(16(19,20)21)22-15(23)10-4-2-1-3-5-10/h1-8,14H,9H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole?
1-(4-bromo-2-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole has a molecular weight of 387.17 g/mol, XLogP of 4.79, 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-fluorophenyl)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 71130029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).