6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C24H23BrN2O — CID 51359008

IUPAC6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C24H23BrN2O/c1-15-5-7-18(8-6-15)23-22(13-19-9-10-21(28-4)12-16(19)2)27-14-20(25)11-17(3)24(27)26-23/h5-12,14H,13H2,1-4H3
InChIKeyOFOWIYDZRRCZOV-UHFFFAOYSA-N
MW435.37 g/mol
LogP6.29
Rot. Bonds4

About 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine

6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 51359008) has the molecular formula C24H23BrN2O and a molecular weight of 435.37 g/mol. Its IUPAC name is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID51359008
Molecular FormulaC24H23BrN2O
Molecular Weight435.37 g/mol
Exact Mass434.10
IUPAC Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C24H23BrN2O/c1-15-5-7-18(8-6-15)23-22(13-19-9-10-21(28-4)12-16(19)2)27-14-20(25)11-17(3)24(27)26-23/h5-12,14H,13H2,1-4H3
InChIKeyOFOWIYDZRRCZOV-UHFFFAOYSA-N
XLogP6.29
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.37
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 51359008) is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3ccc(C)cc3)nc3c(C)cc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is OFOWIYDZRRCZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O/c1-15-5-7-18(8-6-15)23-22(13-19-9-10-21(28-4)12-16(19)2)27-14-20(25)11-17(3)24(27)26-23/h5-12,14H,13H2,1-4H3.
What are the key properties of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 435.37 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 51359008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).