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

C23H21BrN2O — CID 51359007

IUPAC6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C23H21BrN2O/c1-15-12-20(27-3)10-9-18(15)13-21-22(17-7-5-4-6-8-17)25-23-16(2)11-19(24)14-26(21)23/h4-12,14H,13H2,1-3H3
InChIKeyWBDJEDOBGDCBRT-UHFFFAOYSA-N
MW421.34 g/mol
LogP5.98
Rot. Bonds4

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

6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine (PubChem CID 51359007) has the molecular formula C23H21BrN2O and a molecular weight of 421.34 g/mol. Its IUPAC name is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine
PubChem CID51359007
Molecular FormulaC23H21BrN2O
Molecular Weight421.34 g/mol
Exact Mass420.08
IUPAC Name6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3ccccc3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C23H21BrN2O/c1-15-12-20(27-3)10-9-18(15)13-21-22(17-7-5-4-6-8-17)25-23-16(2)11-19(24)14-26(21)23/h4-12,14H,13H2,1-3H3
InChIKeyWBDJEDOBGDCBRT-UHFFFAOYSA-N
XLogP5.98
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 55.98
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-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine (CID 51359007) is 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3ccccc3)nc3c(C)cc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is WBDJEDOBGDCBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O/c1-15-12-20(27-3)10-9-18(15)13-21-22(17-7-5-4-6-8-17)25-23-16(2)11-19(24)14-26(21)23/h4-12,14H,13H2,1-3H3.
What are the key properties of 6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine?
6-bromo-3-[(4-methoxy-2-methylphenyl)methyl]-8-methyl-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 421.34 g/mol, XLogP of 5.98, 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-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).