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

C18H16N4O2 — CID 111476907

IUPAC4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C18H16N4O2/c19-11-14-1-3-17(4-2-14)24-13-16(23)12-22-10-9-21-18(22)15-5-7-20-8-6-15/h1-10,16,23H,12-13H2
InChIKeyNIQGJSSOWJFCPH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.26
Rot. Bonds6

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

4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile (PubChem CID 111476907) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile
PubChem CID111476907
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C18H16N4O2/c19-11-14-1-3-17(4-2-14)24-13-16(23)12-22-10-9-21-18(22)15-5-7-20-8-6-15/h1-10,16,23H,12-13H2
InChIKeyNIQGJSSOWJFCPH-UHFFFAOYSA-N
XLogP2.26
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]phenyl]ethanone
CID 111476898
1,1,1-trifluoro-3-(2-pyridin-4-ylimidazol-1-yl)propan-2-ol
CID 86792569
4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzonitrile
CID 18087059
(2S)-1-(2-pyridin-4-ylimidazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99774818
(2R)-1-(2-methylimidazol-1-yl)-3-phenoxypropan-2-ol
CID 696935
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
4-[(2S)-2-hydroxy-3-(1-methylimidazol-2-yl)sulfanylpropoxy]benzonitrile
CID 94184578
4-[(2S)-2-hydroxy-3-(4-pyrazin-2-ylpiperazin-1-yl)propoxy]benzonitrile
CID 93251377
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
4-[2-hydroxy-3-(5-phenyltetrazol-2-yl)propoxy]benzonitrile
CID 51309608
4-[4-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]benzonitrile
CID 3133121

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile?
The IUPAC name of 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile (CID 111476907) is 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile is N#Cc1ccc(OCC(O)Cn2ccnc2-c2ccncc2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile?
The InChIKey is NIQGJSSOWJFCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c19-11-14-1-3-17(4-2-14)24-13-16(23)12-22-10-9-21-18(22)15-5-7-20-8-6-15/h1-10,16,23H,12-13H2.
What are the key properties of 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile?
4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile has a molecular weight of 320.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile is sourced from PubChem (CID 111476907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).