3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide

C21H16BrN3O2 — CID 122323285

IUPAC3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C21H16BrN3O2/c1-27-19-9-8-14(18-13-25-10-3-2-7-20(25)23-18)12-17(19)24-21(26)15-5-4-6-16(22)11-15/h2-13H,1H3,(H,24,26)
InChIKeyJTHYJIBEHNEOKL-UHFFFAOYSA-N
MW422.28 g/mol
LogP5.02
Rot. Bonds4

About 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide

3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide (PubChem CID 122323285) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
PubChem CID122323285
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C21H16BrN3O2/c1-27-19-9-8-14(18-13-25-10-3-2-7-20(25)23-18)12-17(19)24-21(26)15-5-4-6-16(22)11-15/h2-13H,1H3,(H,24,26)
InChIKeyJTHYJIBEHNEOKL-UHFFFAOYSA-N
XLogP5.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.28
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 122323039
4-(dimethylamino)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide
CID 122323182
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)quinoline-2-carboxamide
CID 122323135
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122323131
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3-methylbenzamide
CID 121055646
5-bromo-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122322854
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-3,4-dimethylbenzamide
CID 121055609
3-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055687
2-(4-chlorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)acetamide
CID 122323070
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzamide
CID 40570291
3-(dimethylamino)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122323468

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide?
The IUPAC name of 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide (CID 122323285) is 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide is COc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide?
The InChIKey is JTHYJIBEHNEOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c1-27-19-9-8-14(18-13-25-10-3-2-7-20(25)23-18)12-17(19)24-21(26)15-5-4-6-16(22)11-15/h2-13H,1H3,(H,24,26).
What are the key properties of 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide?
3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide has a molecular weight of 422.28 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)benzamide is sourced from PubChem (CID 122323285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).