4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile

C19H17N3O3 — CID 75432846

IUPAC4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)COc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C19H17N3O3/c20-11-15-4-6-18(7-5-15)24-12-17(23)13-25-19-3-1-2-16(10-19)22-9-8-21-14-22/h1-10,14,17,23H,12-13H2
InChIKeyZNCHMZQATLRYSA-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.56
Rot. Bonds7

About 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile

4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile (PubChem CID 75432846) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile
PubChem CID75432846
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile
SMILESN#Cc1ccc(OCC(O)COc2cccc(-n3ccnc3)c2)cc1
InChIInChI=1S/C19H17N3O3/c20-11-15-4-6-18(7-5-15)24-12-17(23)13-25-19-3-1-2-16(10-19)22-9-8-21-14-22/h1-10,14,17,23H,12-13H2
InChIKeyZNCHMZQATLRYSA-UHFFFAOYSA-N
XLogP2.56
TPSA80.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenoxy)-3-(4-imidazol-1-ylphenoxy)propan-2-ol
CID 109414595
4-[2-[3-(1,2,4-triazol-4-yl)phenoxy]ethoxy]benzonitrile
CID 138486509
1-(2,4-difluorophenyl)-2-(3-imidazol-1-ylphenoxy)ethanol
CID 109416581
3-(2-hydroxy-3-phenoxypropoxy)benzonitrile
CID 109414644
1-[2-(4-imidazol-1-ylphenoxy)ethylamino]-3-phenoxypropan-2-ol
CID 14739905
4-[3-(2,3-difluorophenoxy)-2-hydroxypropoxy]benzonitrile
CID 84590436
2-(4-cyanophenoxy)ethyl-[3-(3-cyanophenoxy)-2-hydroxypropyl]azanium chloride
CID 110169473
4-(3-bromo-2-hydroxypropoxy)benzonitrile
CID 100978622
4-(5-imidazol-1-yl-2-pyridinyl)benzonitrile
CID 118978613
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
4-[2-hydroxy-3-(2-pyridin-4-ylimidazol-1-yl)propoxy]benzonitrile
CID 111476907
1-[3-(3-methylsulfonylpropoxy)phenyl]imidazole
CID 71984751

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile?
The IUPAC name of 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile (CID 75432846) is 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile is N#Cc1ccc(OCC(O)COc2cccc(-n3ccnc3)c2)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile?
The InChIKey is ZNCHMZQATLRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c20-11-15-4-6-18(7-5-15)24-12-17(23)13-25-19-3-1-2-16(10-19)22-9-8-21-14-22/h1-10,14,17,23H,12-13H2.
What are the key properties of 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile?
4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile has a molecular weight of 335.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(3-imidazol-1-ylphenoxy)propoxy]benzonitrile is sourced from PubChem (CID 75432846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).