1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone

C19H19N3O3 — CID 111476898

IUPAC1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C19H19N3O3/c1-14(23)15-2-4-18(5-3-15)25-13-17(24)12-22-11-10-21-19(22)16-6-8-20-9-7-16/h2-11,17,24H,12-13H2,1H3
InChIKeyKAKDXEIQICHOME-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.59
Rot. Bonds7

About 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone

1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone (PubChem CID 111476898) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
PubChem CID111476898
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C19H19N3O3/c1-14(23)15-2-4-18(5-3-15)25-13-17(24)12-22-11-10-21-19(22)16-6-8-20-9-7-16/h2-11,17,24H,12-13H2,1H3
InChIKeyKAKDXEIQICHOME-UHFFFAOYSA-N
XLogP2.59
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile
CID 111476907
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 17472921
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
1-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropoxy]phenyl]ethanone chloride
CID 53313566
(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99774818
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone (CID 111476898) is 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1.
What is the InChIKey of 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone?
The InChIKey is KAKDXEIQICHOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(23)15-2-4-18(5-3-15)25-13-17(24)12-22-11-10-21-19(22)16-6-8-20-9-7-16/h2-11,17,24H,12-13H2,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone?
1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone has a molecular weight of 337.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone is sourced from PubChem (CID 111476898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).