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

C22H19BrN2O — CID 51361258

IUPAC6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H19BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h3-12,14H,13H2,1-2H3
InChIKeyKUOQRWJTXNJRRY-UHFFFAOYSA-N
MW407.31 g/mol
LogP5.67
Rot. Bonds4

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

6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 51361258) has the molecular formula C22H19BrN2O and a molecular weight of 407.31 g/mol. Its IUPAC name is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID51361258
Molecular FormulaC22H19BrN2O
Molecular Weight407.31 g/mol
Exact Mass406.07
IUPAC Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn23)c(C)c1
InChIInChI=1S/C22H19BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h3-12,14H,13H2,1-2H3
InChIKeyKUOQRWJTXNJRRY-UHFFFAOYSA-N
XLogP5.67
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.31
LogP ≤ 55.67
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]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (CID 51361258) is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3ccccc3)nc3ccc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is KUOQRWJTXNJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O/c1-15-12-19(26-2)10-8-17(15)13-20-22(16-6-4-3-5-7-16)24-21-11-9-18(23)14-25(20)21/h3-12,14H,13H2,1-2H3.
What are the key properties of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 407.31 g/mol, XLogP of 5.67, 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]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51361258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).