2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone

C17H17N3O2 — CID 159925886

IUPAC2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
SMILESCC(C)c1ccc(-c2nc3cc(C(=O)CO)ncc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-10(2)11-3-5-12(6-4-11)17-19-13-7-14(16(22)9-21)18-8-15(13)20-17/h3-8,10,21H,9H2,1-2H3,(H,19,20)
InChIKeyNYZVEEPFZLUZLV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.92
Rot. Bonds4

About 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone

2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone (PubChem CID 159925886) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
PubChem CID159925886
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone
SMILESCC(C)c1ccc(-c2nc3cc(C(=O)CO)ncc3[nH]2)cc1
InChIInChI=1S/C17H17N3O2/c1-10(2)11-3-5-12(6-4-11)17-19-13-7-14(16(22)9-21)18-8-15(13)20-17/h3-8,10,21H,9H2,1-2H3,(H,19,20)
InChIKeyNYZVEEPFZLUZLV-UHFFFAOYSA-N
XLogP2.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone (CID 159925886) is 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone is CC(C)c1ccc(-c2nc3cc(C(=O)CO)ncc3[nH]2)cc1.
What is the InChIKey of 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
The InChIKey is NYZVEEPFZLUZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10(2)11-3-5-12(6-4-11)17-19-13-7-14(16(22)9-21)18-8-15(13)20-17/h3-8,10,21H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone?
2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone has a molecular weight of 295.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(4-propan-2-ylphenyl)-3H-imidazo[4,5-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 159925886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).