6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine

C21H15BrClFN2 — CID 51359804

IUPAC6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H15BrClFN2/c1-13-9-16(22)12-26-19(11-14-3-2-4-18(24)10-14)20(25-21(13)26)15-5-7-17(23)8-6-15/h2-10,12H,11H2,1H3
InChIKeyUQBLUEMDVGCHJM-UHFFFAOYSA-N
MW429.72 g/mol
LogP6.46
Rot. Bonds3

About 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine

6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 51359804) has the molecular formula C21H15BrClFN2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID51359804
Molecular FormulaC21H15BrClFN2
Molecular Weight429.72 g/mol
Exact Mass428.01
IUPAC Name6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H15BrClFN2/c1-13-9-16(22)12-26-19(11-14-3-2-4-18(24)10-14)20(25-21(13)26)15-5-7-17(23)8-6-15/h2-10,12H,11H2,1H3
InChIKeyUQBLUEMDVGCHJM-UHFFFAOYSA-N
XLogP6.46
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.72
LogP ≤ 56.46
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-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine (CID 51359804) is 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(Cc3cccc(F)c3)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is UQBLUEMDVGCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrClFN2/c1-13-9-16(22)12-26-19(11-14-3-2-4-18(24)10-14)20(25-21(13)26)15-5-7-17(23)8-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 429.72 g/mol, XLogP of 6.46, 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-chlorophenyl)-3-[(3-fluorophenyl)methyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).