3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one

C13H10BrN3O — CID 131028443

IUPAC3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Br)cnc2n1Cc1ccccc1
InChIInChI=1S/C13H10BrN3O/c14-10-6-11-12(15-7-10)17(13(18)16-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18)
InChIKeyBCFIVJKSFPTUOV-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.54
Rot. Bonds2

About 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one

3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 131028443) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID131028443
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(Br)cnc2n1Cc1ccccc1
InChIInChI=1S/C13H10BrN3O/c14-10-6-11-12(15-7-10)17(13(18)16-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18)
InChIKeyBCFIVJKSFPTUOV-UHFFFAOYSA-N
XLogP2.54
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one (CID 131028443) is 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(Br)cnc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BCFIVJKSFPTUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/c14-10-6-11-12(15-7-10)17(13(18)16-11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,18).
What are the key properties of 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one?
3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 304.15 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 131028443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).