1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one

C18H19N3O — CID 127036851

IUPAC1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H19N3O/c22-16(18-20-15-11-7-13-19-17(15)21-18)12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,19,20,21)
InChIKeyHYWHTRBICODNEL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.94
Rot. Bonds7

About 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one

1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one (PubChem CID 127036851) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
PubChem CID127036851
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
SMILESO=C(CCCCCc1ccccc1)c1nc2ncccc2[nH]1
InChIInChI=1S/C18H19N3O/c22-16(18-20-15-11-7-13-19-17(15)21-18)12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,19,20,21)
InChIKeyHYWHTRBICODNEL-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one?
The IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one (CID 127036851) is 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one.
What is the SMILES notation for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one?
The canonical SMILES for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one is O=C(CCCCCc1ccccc1)c1nc2ncccc2[nH]1.
What is the InChIKey of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one?
The InChIKey is HYWHTRBICODNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-16(18-20-15-11-7-13-19-17(15)21-18)12-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11,13H,2,5-6,10,12H2,(H,19,20,21).
What are the key properties of 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one?
1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one is sourced from PubChem (CID 127036851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).