8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one

C14H9BrN2O2 — CID 22258169

IUPAC8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=C(c1ccccc1)c1ccc(=O)n2c(Br)c[nH]c12
InChIInChI=1S/C14H9BrN2O2/c15-11-8-16-14-10(6-7-12(18)17(11)14)13(19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyCFNSENRMLZHPOM-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.62
Rot. Bonds2

About 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one

8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 22258169) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID22258169
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one
SMILESO=C(c1ccccc1)c1ccc(=O)n2c(Br)c[nH]c12
InChIInChI=1S/C14H9BrN2O2/c15-11-8-16-14-10(6-7-12(18)17(11)14)13(19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyCFNSENRMLZHPOM-UHFFFAOYSA-N
XLogP2.62
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one (CID 22258169) is 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one is O=C(c1ccccc1)c1ccc(=O)n2c(Br)c[nH]c12.
What is the InChIKey of 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is CFNSENRMLZHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-8-16-14-10(6-7-12(18)17(11)14)13(19)9-4-2-1-3-5-9/h1-8,16H.
What are the key properties of 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one?
8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 317.14 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-3-bromo-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 22258169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).