2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine

C21H16BrClN2 — CID 51359814

IUPAC2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C21H16BrClN2/c1-14-8-9-20-24-21(16-5-3-6-17(22)12-16)19(25(20)13-14)11-15-4-2-7-18(23)10-15/h2-10,12-13H,11H2,1H3
InChIKeyPBRYFTNNYJPIDP-UHFFFAOYSA-N
MW411.73 g/mol
LogP6.32
Rot. Bonds3

About 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine

2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 51359814) has the molecular formula C21H16BrClN2 and a molecular weight of 411.73 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID51359814
Molecular FormulaC21H16BrClN2
Molecular Weight411.73 g/mol
Exact Mass410.02
IUPAC Name2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCc1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C21H16BrClN2/c1-14-8-9-20-24-21(16-5-3-6-17(22)12-16)19(25(20)13-14)11-15-4-2-7-18(23)10-15/h2-10,12-13H,11H2,1H3
InChIKeyPBRYFTNNYJPIDP-UHFFFAOYSA-N
XLogP6.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.73
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine (CID 51359814) is 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine is Cc1ccc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c1.
What is the InChIKey of 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is PBRYFTNNYJPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrClN2/c1-14-8-9-20-24-21(16-5-3-6-17(22)12-16)19(25(20)13-14)11-15-4-2-7-18(23)10-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine?
2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 411.73 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 51359814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).