2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

C22H16ClF3N2 — CID 51359819

IUPAC2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C22H16ClF3N2/c1-14-6-11-20-27-21(15-7-9-17(23)10-8-15)19(28(20)13-14)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyADTGKQXMLLKMRJ-UHFFFAOYSA-N
MW400.83 g/mol
LogP6.57
Rot. Bonds3

About 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51359819) has the molecular formula C22H16ClF3N2 and a molecular weight of 400.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51359819
Molecular FormulaC22H16ClF3N2
Molecular Weight400.83 g/mol
Exact Mass400.10
IUPAC Name2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3C(F)(F)F)n2c1
InChIInChI=1S/C22H16ClF3N2/c1-14-6-11-20-27-21(15-7-9-17(23)10-8-15)19(28(20)13-14)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3
InChIKeyADTGKQXMLLKMRJ-UHFFFAOYSA-N
XLogP6.57
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.83
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51359819) is 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is Cc1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3C(F)(F)F)n2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ADTGKQXMLLKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N2/c1-14-6-11-20-27-21(15-7-9-17(23)10-8-15)19(28(20)13-14)12-16-4-2-3-5-18(16)22(24,25)26/h2-11,13H,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 400.83 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).