4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

C22H18BrN3O — CID 42694129

IUPAC4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18BrN3O/c1-14-3-6-16(7-4-14)20-21(26-13-15(2)5-12-19(26)24-20)25-22(27)17-8-10-18(23)11-9-17/h3-13H,1-2H3,(H,25,27)
InChIKeyKLUMBMVYNZGTJM-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.63
Rot. Bonds3

About 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694129) has the molecular formula C22H18BrN3O and a molecular weight of 420.31 g/mol. Its IUPAC name is 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694129
Molecular FormulaC22H18BrN3O
Molecular Weight420.31 g/mol
Exact Mass419.06
IUPAC Name4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H18BrN3O/c1-14-3-6-16(7-4-14)20-21(26-13-15(2)5-12-19(26)24-20)25-22(27)17-8-10-18(23)11-9-17/h3-13H,1-2H3,(H,25,27)
InChIKeyKLUMBMVYNZGTJM-UHFFFAOYSA-N
XLogP5.63
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694129) is 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is KLUMBMVYNZGTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O/c1-14-3-6-16(7-4-14)20-21(26-13-15(2)5-12-19(26)24-20)25-22(27)17-8-10-18(23)11-9-17/h3-13H,1-2H3,(H,25,27).
What are the key properties of 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 420.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).