6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine

C22H18Br2N2O — CID 51361276

IUPAC6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H18Br2N2O/c1-14-10-19(27-2)8-6-15(14)12-20-22(16-4-3-5-17(23)11-16)25-21-9-7-18(24)13-26(20)21/h3-11,13H,12H2,1-2H3
InChIKeyZYPSGDDIVJUEGK-UHFFFAOYSA-N
MW486.21 g/mol
LogP6.43
Rot. Bonds4

About 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine

6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 51361276) has the molecular formula C22H18Br2N2O and a molecular weight of 486.21 g/mol. Its IUPAC name is 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID51361276
Molecular FormulaC22H18Br2N2O
Molecular Weight486.21 g/mol
Exact Mass483.98
IUPAC Name6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H18Br2N2O/c1-14-10-19(27-2)8-6-15(14)12-20-22(16-4-3-5-17(23)11-16)25-21-9-7-18(24)13-26(20)21/h3-11,13H,12H2,1-2H3
InChIKeyZYPSGDDIVJUEGK-UHFFFAOYSA-N
XLogP6.43
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.21
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine (CID 51361276) is 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3cccc(Br)c3)nc3ccc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZYPSGDDIVJUEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2N2O/c1-14-10-19(27-2)8-6-15(14)12-20-22(16-4-3-5-17(23)11-16)25-21-9-7-18(24)13-26(20)21/h3-11,13H,12H2,1-2H3.
What are the key properties of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 486.21 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 51361276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).