2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

C20H12BrN3S — CID 132527622

IUPAC2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESBrc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H12BrN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H
InChIKeyVMEQAABVMOTJFG-UHFFFAOYSA-N
MW406.31 g/mol
LogP6.04
Rot. Bonds2

About 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole

2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (PubChem CID 132527622) has the molecular formula C20H12BrN3S and a molecular weight of 406.31 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
PubChem CID132527622
Molecular FormulaC20H12BrN3S
Molecular Weight406.31 g/mol
Exact Mass404.99
IUPAC Name2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole
SMILESBrc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H12BrN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H
InChIKeyVMEQAABVMOTJFG-UHFFFAOYSA-N
XLogP6.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
2-[3-(4-bromophenyl)-5-chlorophenyl]-1,3-benzothiazole
CID 156550838
2-(4-bromophenyl)-3-fluoroimidazo[1,2-a]pyridine
CID 133059378
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1,3-benzothiazole
CID 132527612
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
3-[3-(4-dibenzothiophen-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155307077
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
3-(5-methylthiophen-2-yl)-2-phenylimidazo[1,2-a]pyridine
CID 132501674

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole (CID 132527622) is 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is Brc1ccc(-c2nc3ccccn3c2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
The InChIKey is VMEQAABVMOTJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrN3S/c21-14-10-8-13(9-11-14)18-19(24-12-4-3-7-17(24)23-18)20-22-15-5-1-2-6-16(15)25-20/h1-12H.
What are the key properties of 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole?
2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole has a molecular weight of 406.31 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 132527622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).