2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one

C12H15N3O2 — CID 173250133

IUPAC2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one
SMILESCCCCC(O)C(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-10(16)11(17)12-14-8-5-6-13-7-9(8)15-12/h5-7,10,16H,2-4H2,1H3,(H,14,15)
InChIKeyRKOLBEQUQALLDX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds5

About 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one

2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one (PubChem CID 173250133) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one
PubChem CID173250133
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one
SMILESCCCCC(O)C(=O)c1nc2ccncc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-3-4-10(16)11(17)12-14-8-5-6-13-7-9(8)15-12/h5-7,10,16H,2-4H2,1H3,(H,14,15)
InChIKeyRKOLBEQUQALLDX-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one?
The IUPAC name of 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one (CID 173250133) is 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one.
What is the SMILES notation for 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one?
The canonical SMILES for 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one is CCCCC(O)C(=O)c1nc2ccncc2[nH]1.
What is the InChIKey of 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one?
The InChIKey is RKOLBEQUQALLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-3-4-10(16)11(17)12-14-8-5-6-13-7-9(8)15-12/h5-7,10,16H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one?
2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one has a molecular weight of 233.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3H-imidazo[4,5-c]pyridin-2-yl)hexan-1-one is sourced from PubChem (CID 173250133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).