6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

C21H13BrClF3N2 — CID 51360621

IUPAC6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12
InChIInChI=1S/C21H13BrClF3N2/c22-15-8-9-19-27-20(14-5-3-6-16(23)10-14)18(28(19)12-15)11-13-4-1-2-7-17(13)21(24,25)26/h1-10,12H,11H2
InChIKeyGYAILDGAZINDHV-UHFFFAOYSA-N
MW465.70 g/mol
LogP7.03
Rot. Bonds3

About 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51360621) has the molecular formula C21H13BrClF3N2 and a molecular weight of 465.70 g/mol. Its IUPAC name is 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51360621
Molecular FormulaC21H13BrClF3N2
Molecular Weight465.70 g/mol
Exact Mass463.99
IUPAC Name6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12
InChIInChI=1S/C21H13BrClF3N2/c22-15-8-9-19-27-20(14-5-3-6-16(23)10-14)18(28(19)12-15)11-13-4-1-2-7-17(13)21(24,25)26/h1-10,12H,11H2
InChIKeyGYAILDGAZINDHV-UHFFFAOYSA-N
XLogP7.03
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.70
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51360621) is 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccccc1Cc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is GYAILDGAZINDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrClF3N2/c22-15-8-9-19-27-20(14-5-3-6-16(23)10-14)18(28(19)12-15)11-13-4-1-2-7-17(13)21(24,25)26/h1-10,12H,11H2.
What are the key properties of 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 465.70 g/mol, XLogP of 7.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).