5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine

C20H13BrF3N3 — CID 10477893

IUPAC5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H13BrF3N3/c21-16-6-4-13(5-7-16)11-27-9-8-17-18(12-27)26-19(25-17)14-2-1-3-15(10-14)20(22,23)24/h1-10,12H,11H2
InChIKeyRWWTWZZOMIILMB-UHFFFAOYSA-N
MW432.24 g/mol
LogP5.88
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine

5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine (PubChem CID 10477893) has the molecular formula C20H13BrF3N3 and a molecular weight of 432.24 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine
PubChem CID10477893
Molecular FormulaC20H13BrF3N3
Molecular Weight432.24 g/mol
Exact Mass431.02
IUPAC Name5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H13BrF3N3/c21-16-6-4-13(5-7-16)11-27-9-8-17-18(12-27)26-19(25-17)14-2-1-3-15(10-14)20(22,23)24/h1-10,12H,11H2
InChIKeyRWWTWZZOMIILMB-UHFFFAOYSA-N
XLogP5.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.24
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine 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 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine (CID 10477893) is 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine is FC(F)(F)c1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is RWWTWZZOMIILMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrF3N3/c21-16-6-4-13(5-7-16)11-27-9-8-17-18(12-27)26-19(25-17)14-2-1-3-15(10-14)20(22,23)24/h1-10,12H,11H2.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 432.24 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10477893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).