N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide

C22H18BrN3O — CID 42694325

IUPACN-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide
SMILESCc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(Br)c3)n2c1
InChIInChI=1S/C22H18BrN3O/c1-15-10-11-20-24-19(12-16-6-3-2-4-7-16)21(26(20)14-15)25-22(27)17-8-5-9-18(23)13-17/h2-11,13-14H,12H2,1H3,(H,25,27)
InChIKeyUSCKNTVZJXLKKG-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.25
Rot. Bonds4

About N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide

N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide (PubChem CID 42694325) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide
PubChem CID42694325
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC NameN-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide
SMILESCc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(Br)c3)n2c1
InChIInChI=1S/C22H18BrN3O/c1-15-10-11-20-24-19(12-16-6-3-2-4-7-16)21(26(20)14-15)25-22(27)17-8-5-9-18(23)13-17/h2-11,13-14H,12H2,1H3,(H,25,27)
InChIKeyUSCKNTVZJXLKKG-UHFFFAOYSA-N
XLogP5.25
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide?
The IUPAC name of N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide (CID 42694325) is N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide.
What is the SMILES notation for N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide?
The canonical SMILES for N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide is Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3cccc(Br)c3)n2c1.
What is the InChIKey of N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide?
The InChIKey is USCKNTVZJXLKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c1-15-10-11-20-24-19(12-16-6-3-2-4-7-16)21(26(20)14-15)25-22(27)17-8-5-9-18(23)13-17/h2-11,13-14H,12H2,1H3,(H,25,27).
What are the key properties of N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide?
N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide has a molecular weight of 420.31 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-6-methylimidazo[1,2-a]pyridin-3-yl)-3-bromobenzamide is sourced from PubChem (CID 42694325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).