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

C21H16Br2N2 — CID 46904886

IUPAC6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C21H16Br2N2/c1-14-2-4-15(5-3-14)12-19-21(16-6-8-17(22)9-7-16)24-20-11-10-18(23)13-25(19)20/h2-11,13H,12H2,1H3
InChIKeyGMUSXIFENQIXMT-UHFFFAOYSA-N
MW456.18 g/mol
LogP6.43
Rot. Bonds3

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

6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine (PubChem CID 46904886) has the molecular formula C21H16Br2N2 and a molecular weight of 456.18 g/mol. Its IUPAC name is 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine
PubChem CID46904886
Molecular FormulaC21H16Br2N2
Molecular Weight456.18 g/mol
Exact Mass453.97
IUPAC Name6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C21H16Br2N2/c1-14-2-4-15(5-3-14)12-19-21(16-6-8-17(22)9-7-16)24-20-11-10-18(23)13-25(19)20/h2-11,13H,12H2,1H3
InChIKeyGMUSXIFENQIXMT-UHFFFAOYSA-N
XLogP6.43
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.18
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine (CID 46904886) is 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine is Cc1ccc(Cc2c(-c3ccc(Br)cc3)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is GMUSXIFENQIXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Br2N2/c1-14-2-4-15(5-3-14)12-19-21(16-6-8-17(22)9-7-16)24-20-11-10-18(23)13-25(19)20/h2-11,13H,12H2,1H3.
What are the key properties of 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine?
6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 456.18 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 46904886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).