6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

C22H15BrF4N2 — CID 51359434

IUPAC6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H15BrF4N2/c1-13-10-16(23)12-29-19(11-15-4-2-3-5-18(15)22(25,26)27)20(28-21(13)29)14-6-8-17(24)9-7-14/h2-10,12H,11H2,1H3
InChIKeyADJQWURQGZXKEM-UHFFFAOYSA-N
MW463.27 g/mol
LogP6.82
Rot. Bonds3

About 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine

6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 51359434) has the molecular formula C22H15BrF4N2 and a molecular weight of 463.27 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
PubChem CID51359434
Molecular FormulaC22H15BrF4N2
Molecular Weight463.27 g/mol
Exact Mass462.04
IUPAC Name6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C22H15BrF4N2/c1-13-10-16(23)12-29-19(11-15-4-2-3-5-18(15)22(25,26)27)20(28-21(13)29)14-6-8-17(24)9-7-14/h2-10,12H,11H2,1H3
InChIKeyADJQWURQGZXKEM-UHFFFAOYSA-N
XLogP6.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.27
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine (CID 51359434) is 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ADJQWURQGZXKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrF4N2/c1-13-10-16(23)12-29-19(11-15-4-2-3-5-18(15)22(25,26)27)20(28-21(13)29)14-6-8-17(24)9-7-14/h2-10,12H,11H2,1H3.
What are the key properties of 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 463.27 g/mol, XLogP of 6.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).