4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile

C18H15N3O — CID 14231133

IUPAC4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(O)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H15N3O/c19-12-15-1-5-16(6-2-15)18(21-10-9-20-13-21)11-14-3-7-17(22)8-4-14/h1-10,13,18,22H,11H2
InChIKeyTYMZDHHPXMLBAG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.29
Rot. Bonds4

About 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile

4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile (PubChem CID 14231133) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
PubChem CID14231133
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(O)cc2)n2ccnc2)cc1
InChIInChI=1S/C18H15N3O/c19-12-15-1-5-16(6-2-15)18(21-10-9-20-13-21)11-14-3-7-17(22)8-4-14/h1-10,13,18,22H,11H2
InChIKeyTYMZDHHPXMLBAG-UHFFFAOYSA-N
XLogP3.29
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 18779690
4-(1-imidazol-1-ylbutyl)benzonitrile
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CID 57402760
4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride
CID 21153674
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-hydroxybenzonitrile
CID 53435365
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
3-(3-cyanophenyl)-3-imidazol-1-ylpropanamide
CID 67663881
4-(2-imidazol-1-yl-2-phenylethyl)-2-methylaniline;propane
CID 143057158
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
1-[1-(4-pentylphenyl)butyl]imidazole
CID 91168705

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile (CID 14231133) is 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile is N#Cc1ccc(C(Cc2ccc(O)cc2)n2ccnc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile?
The InChIKey is TYMZDHHPXMLBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c19-12-15-1-5-16(6-2-15)18(21-10-9-20-13-21)11-14-3-7-17(22)8-4-14/h1-10,13,18,22H,11H2.
What are the key properties of 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile?
4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile is sourced from PubChem (CID 14231133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).