3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

C22H14F6N2 — CID 139261034

IUPAC3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3ccccn3c2Cc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H14F6N2/c23-21(24,25)15-9-10-16(17(13-15)22(26,27)28)20-18(12-14-6-2-1-3-7-14)30-11-5-4-8-19(30)29-20/h1-11,13H,12H2
InChIKeyCFFCAHCFJCNFJW-UHFFFAOYSA-N
MW420.36 g/mol
LogP6.63
Rot. Bonds3

About 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine

3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 139261034) has the molecular formula C22H14F6N2 and a molecular weight of 420.36 g/mol. Its IUPAC name is 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID139261034
Molecular FormulaC22H14F6N2
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC Name3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3ccccn3c2Cc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H14F6N2/c23-21(24,25)15-9-10-16(17(13-15)22(26,27)28)20-18(12-14-6-2-1-3-7-14)30-11-5-4-8-19(30)29-20/h1-11,13H,12H2
InChIKeyCFFCAHCFJCNFJW-UHFFFAOYSA-N
XLogP6.63
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.36
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine (CID 139261034) is 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is FC(F)(F)c1ccc(-c2nc3ccccn3c2Cc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is CFFCAHCFJCNFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N2/c23-21(24,25)15-9-10-16(17(13-15)22(26,27)28)20-18(12-14-6-2-1-3-7-14)30-11-5-4-8-19(30)29-20/h1-11,13H,12H2.
What are the key properties of 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine?
3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 420.36 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-[2,4-bis(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 139261034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).