6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine

C15H12BrClN2 — CID 115404900

IUPAC6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)c(C)n2cc1Br
InChIInChI=1S/C15H12BrClN2/c1-9-7-14-18-15(10(2)19(14)8-13(9)16)11-3-5-12(17)6-4-11/h3-8H,1-2H3
InChIKeyBKGLJFJDKFDYGN-UHFFFAOYSA-N
MW335.63 g/mol
LogP5.03
Rot. Bonds1

About 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine

6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine (PubChem CID 115404900) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine
PubChem CID115404900
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine
SMILESCc1cc2nc(-c3ccc(Cl)cc3)c(C)n2cc1Br
InChIInChI=1S/C15H12BrClN2/c1-9-7-14-18-15(10(2)19(14)8-13(9)16)11-3-5-12(17)6-4-11/h3-8H,1-2H3
InChIKeyBKGLJFJDKFDYGN-UHFFFAOYSA-N
XLogP5.03
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.63
LogP ≤ 55.03
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-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine (CID 115404900) is 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine is Cc1cc2nc(-c3ccc(Cl)cc3)c(C)n2cc1Br.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine?
The InChIKey is BKGLJFJDKFDYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c1-9-7-14-18-15(10(2)19(14)8-13(9)16)11-3-5-12(17)6-4-11/h3-8H,1-2H3.
What are the key properties of 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine?
6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine has a molecular weight of 335.63 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chlorophenyl)-3,7-dimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 115404900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).