2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide

C21H16BrN3O2 — CID 122283422

IUPAC2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C21H16BrN3O2/c1-27-16-8-9-18(22)17(12-16)21(26)23-15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)24-19/h2-13H,1H3,(H,23,26)
InChIKeyQKVGXOCPJVXMEX-UHFFFAOYSA-N
MW422.28 g/mol
LogP5.02
Rot. Bonds4

About 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide

2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide (PubChem CID 122283422) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
PubChem CID122283422
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC Name2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1
InChIInChI=1S/C21H16BrN3O2/c1-27-16-8-9-18(22)17(12-16)21(26)23-15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)24-19/h2-13H,1H3,(H,23,26)
InChIKeyQKVGXOCPJVXMEX-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

2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286197
ethane;N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-4-methoxy-2-methylbenzamide
CID 123200330
6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
CID 3753129
2-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 3763346
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 877528
2-bromo-5-methoxy-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 122283799
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 122283501
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086799
3,4-difluoro-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 122283315
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbutanamide
CID 845423
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 42737775

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide (CID 122283422) is 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cccc(-c3cn4ccccc4n3)c2)c1.
What is the InChIKey of 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide?
The InChIKey is QKVGXOCPJVXMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c1-27-16-8-9-18(22)17(12-16)21(26)23-15-6-4-5-14(11-15)19-13-25-10-3-2-7-20(25)24-19/h2-13H,1H3,(H,23,26).
What are the key properties of 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide?
2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide 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 2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide is sourced from PubChem (CID 122283422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).