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

C21H13Cl2F3N2 — CID 51361316

IUPAC6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-7-5-13(6-8-15)20-18(28-12-16(23)9-10-19(28)27-20)11-14-3-1-2-4-17(14)21(24,25)26/h1-10,12H,11H2
InChIKeyLIWKUQYMOJZYFY-UHFFFAOYSA-N
MW421.25 g/mol
LogP6.92
Rot. Bonds3

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

6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51361316) has the molecular formula C21H13Cl2F3N2 and a molecular weight of 421.25 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51361316
Molecular FormulaC21H13Cl2F3N2
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-7-5-13(6-8-15)20-18(28-12-16(23)9-10-19(28)27-20)11-14-3-1-2-4-17(14)21(24,25)26/h1-10,12H,11H2
InChIKeyLIWKUQYMOJZYFY-UHFFFAOYSA-N
XLogP6.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.25
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51361316) is 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccccc1Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is LIWKUQYMOJZYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N2/c22-15-7-5-13(6-8-15)20-18(28-12-16(23)9-10-19(28)27-20)11-14-3-1-2-4-17(14)21(24,25)26/h1-10,12H,11H2.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 421.25 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).