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

C23H20Br2N2O — CID 51359011

IUPAC6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C23H20Br2N2O/c1-14-10-20(28-3)8-7-16(14)12-21-22(17-5-4-6-18(24)11-17)26-23-15(2)9-19(25)13-27(21)23/h4-11,13H,12H2,1-3H3
InChIKeyDEBFOWLOIXWCJW-UHFFFAOYSA-N
MW500.23 g/mol
LogP6.74
Rot. Bonds4

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

6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 51359011) has the molecular formula C23H20Br2N2O and a molecular weight of 500.23 g/mol. Its IUPAC name is 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID51359011
Molecular FormulaC23H20Br2N2O
Molecular Weight500.23 g/mol
Exact Mass497.99
IUPAC Name6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(C)cc(Br)cn23)c(C)c1
InChIInChI=1S/C23H20Br2N2O/c1-14-10-20(28-3)8-7-16(14)12-21-22(17-5-4-6-18(24)11-17)26-23-15(2)9-19(25)13-27(21)23/h4-11,13H,12H2,1-3H3
InChIKeyDEBFOWLOIXWCJW-UHFFFAOYSA-N
XLogP6.74
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.23
LogP ≤ 56.74
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]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine (CID 51359011) is 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine is COc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(C)cc(Br)cn23)c(C)c1.
What is the InChIKey of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is DEBFOWLOIXWCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2N2O/c1-14-10-20(28-3)8-7-16(14)12-21-22(17-5-4-6-18(24)11-17)26-23-15(2)9-19(25)13-27(21)23/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine?
6-bromo-2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 500.23 g/mol, XLogP of 6.74, 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]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).