3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

C20H14BrClN2 — CID 46904882

IUPAC3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1
InChIInChI=1S/C20H14BrClN2/c21-16-8-11-19-23-20(15-6-9-17(22)10-7-15)18(24(19)13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyCTHBDKFXJJSCMP-UHFFFAOYSA-N
MW397.70 g/mol
LogP6.01
Rot. Bonds3

About 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine

3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine (PubChem CID 46904882) has the molecular formula C20H14BrClN2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
PubChem CID46904882
Molecular FormulaC20H14BrClN2
Molecular Weight397.70 g/mol
Exact Mass396.00
IUPAC Name3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
SMILESClc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1
InChIInChI=1S/C20H14BrClN2/c21-16-8-11-19-23-20(15-6-9-17(22)10-7-15)18(24(19)13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2
InChIKeyCTHBDKFXJJSCMP-UHFFFAOYSA-N
XLogP6.01
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.70
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine (CID 46904882) is 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine is Clc1ccc(-c2nc3ccc(Br)cn3c2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
The InChIKey is CTHBDKFXJJSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrClN2/c21-16-8-11-19-23-20(15-6-9-17(22)10-7-15)18(24(19)13-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2.
What are the key properties of 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine?
3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine has a molecular weight of 397.70 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 46904882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).