1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone

C14H11N3O — CID 59822148

IUPAC1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H11N3O/c1-9(18)10-4-6-11(7-5-10)13-16-12-3-2-8-15-14(12)17-13/h2-8H,1H3,(H,15,16,17)
InChIKeyHRXUUBWDAGEVHF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.83
Rot. Bonds2

About 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone

1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone (PubChem CID 59822148) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone
PubChem CID59822148
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1
InChIInChI=1S/C14H11N3O/c1-9(18)10-4-6-11(7-5-10)13-16-12-3-2-8-15-14(12)17-13/h2-8H,1H3,(H,15,16,17)
InChIKeyHRXUUBWDAGEVHF-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone (CID 59822148) is 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone is CC(=O)c1ccc(-c2nc3ncccc3[nH]2)cc1.
What is the InChIKey of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone?
The InChIKey is HRXUUBWDAGEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9(18)10-4-6-11(7-5-10)13-16-12-3-2-8-15-14(12)17-13/h2-8H,1H3,(H,15,16,17).
What are the key properties of 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone?
1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone has a molecular weight of 237.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone is sourced from PubChem (CID 59822148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).