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

C21H20BrF3N2 — CID 51360722

IUPAC6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(C2CCCCC2)nc2ccc(Br)cn12
InChIInChI=1S/C21H20BrF3N2/c22-16-10-11-19-26-20(14-6-2-1-3-7-14)18(27(19)13-16)12-15-8-4-5-9-17(15)21(23,24)25/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyONAIQLDWBYLQAU-UHFFFAOYSA-N
MW437.30 g/mol
LogP6.75
Rot. Bonds3

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

6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51360722) has the molecular formula C21H20BrF3N2 and a molecular weight of 437.30 g/mol. Its IUPAC name is 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51360722
Molecular FormulaC21H20BrF3N2
Molecular Weight437.30 g/mol
Exact Mass436.08
IUPAC Name6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(C2CCCCC2)nc2ccc(Br)cn12
InChIInChI=1S/C21H20BrF3N2/c22-16-10-11-19-26-20(14-6-2-1-3-7-14)18(27(19)13-16)12-15-8-4-5-9-17(15)21(23,24)25/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyONAIQLDWBYLQAU-UHFFFAOYSA-N
XLogP6.75
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.30
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51360722) is 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccccc1Cc1c(C2CCCCC2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ONAIQLDWBYLQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N2/c22-16-10-11-19-26-20(14-6-2-1-3-7-14)18(27(19)13-16)12-15-8-4-5-9-17(15)21(23,24)25/h4-5,8-11,13-14H,1-3,6-7,12H2.
What are the key properties of 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 437.30 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclohexyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).