6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine

C23H21BrN2 — CID 51360726

IUPAC6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n23)cc1
InChIInChI=1S/C23H21BrN2/c1-15-9-11-18(12-10-15)14-20-23(19-7-5-4-6-8-19)25-21-13-16(2)22(24)17(3)26(20)21/h4-13H,14H2,1-3H3
InChIKeyJRQBSHGZVLUHDL-UHFFFAOYSA-N
MW405.34 g/mol
LogP6.28
Rot. Bonds3

About 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine

6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 51360726) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID51360726
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n23)cc1
InChIInChI=1S/C23H21BrN2/c1-15-9-11-18(12-10-15)14-20-23(19-7-5-4-6-8-19)25-21-13-16(2)22(24)17(3)26(20)21/h4-13H,14H2,1-3H3
InChIKeyJRQBSHGZVLUHDL-UHFFFAOYSA-N
XLogP6.28
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (CID 51360726) is 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine is Cc1ccc(Cc2c(-c3ccccc3)nc3cc(C)c(Br)c(C)n23)cc1.
What is the InChIKey of 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is JRQBSHGZVLUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-15-9-11-18(12-10-15)14-20-23(19-7-5-4-6-8-19)25-21-13-16(2)22(24)17(3)26(20)21/h4-13H,14H2,1-3H3.
What are the key properties of 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 405.34 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-dimethyl-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51360726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).