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

C20H13BrClFN2 — CID 51360081

IUPAC6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine
SMILESFc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cn23)c1
InChIInChI=1S/C20H13BrClFN2/c21-15-6-9-19-24-20(14-4-7-16(22)8-5-14)18(25(19)12-15)11-13-2-1-3-17(23)10-13/h1-10,12H,11H2
InChIKeyCRGCFVHUHDUOPO-UHFFFAOYSA-N
MW415.69 g/mol
LogP6.15
Rot. Bonds3

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

6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 51360081) has the molecular formula C20H13BrClFN2 and a molecular weight of 415.69 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID51360081
Molecular FormulaC20H13BrClFN2
Molecular Weight415.69 g/mol
Exact Mass413.99
IUPAC Name6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine
SMILESFc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cn23)c1
InChIInChI=1S/C20H13BrClFN2/c21-15-6-9-19-24-20(14-4-7-16(22)8-5-14)18(25(19)12-15)11-13-2-1-3-17(23)10-13/h1-10,12H,11H2
InChIKeyCRGCFVHUHDUOPO-UHFFFAOYSA-N
XLogP6.15
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.69
LogP ≤ 56.15
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]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine (CID 51360081) is 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine is Fc1cccc(Cc2c(-c3ccc(Cl)cc3)nc3ccc(Br)cn23)c1.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is CRGCFVHUHDUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClFN2/c21-15-6-9-19-24-20(14-4-7-16(22)8-5-14)18(25(19)12-15)11-13-2-1-3-17(23)10-13/h1-10,12H,11H2.
What are the key properties of 6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 415.69 g/mol, XLogP of 6.15, 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]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51360081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).