3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C20H12Br3N3O — CID 42658399

IUPAC3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H12Br3N3O/c21-14-3-1-2-13(8-14)20(27)24-16-6-4-12(5-7-16)18-11-26-10-15(22)9-17(23)19(26)25-18/h1-11H,(H,24,27)
InChIKeyMDHZXUIVOSZUTE-UHFFFAOYSA-N
MW550.05 g/mol
LogP6.54
Rot. Bonds3

About 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 42658399) has the molecular formula C20H12Br3N3O and a molecular weight of 550.05 g/mol. Its IUPAC name is 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID42658399
Molecular FormulaC20H12Br3N3O
Molecular Weight550.05 g/mol
Exact Mass546.85
IUPAC Name3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1)c1cccc(Br)c1
InChIInChI=1S/C20H12Br3N3O/c21-14-3-1-2-13(8-14)20(27)24-16-6-4-12(5-7-16)18-11-26-10-15(22)9-17(23)19(26)25-18/h1-11H,(H,24,27)
InChIKeyMDHZXUIVOSZUTE-UHFFFAOYSA-N
XLogP6.54
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.05
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 42658389
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-methoxybenzamide
CID 42737775
N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 42737773
2-chloro-N-[3-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 42658403
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
3-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64794650
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
4-[(3-bromobenzoyl)amino]benzoate
CID 6943789
3-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055687
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzamide
CID 40570291
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 42658399) is 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is MDHZXUIVOSZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br3N3O/c21-14-3-1-2-13(8-14)20(27)24-16-6-4-12(5-7-16)18-11-26-10-15(22)9-17(23)19(26)25-18/h1-11H,(H,24,27).
What are the key properties of 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 550.05 g/mol, XLogP of 6.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(6,8-dibromoimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 42658399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).