3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile

C18H14FN3O — CID 67549385

IUPAC3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile
SMILESN#CCCc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1O
InChIInChI=1S/C18H14FN3O/c19-13-9-7-12(8-10-13)18-21-15(5-3-11-20)17(22-18)14-4-1-2-6-16(14)23/h1-2,4,6-10,23H,3,5H2,(H,21,22)
InChIKeyFDZMYTFQGXULGR-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.04
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile

3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile (PubChem CID 67549385) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile
PubChem CID67549385
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile
SMILESN#CCCc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1O
InChIInChI=1S/C18H14FN3O/c19-13-9-7-12(8-10-13)18-21-15(5-3-11-20)17(22-18)14-4-1-2-6-16(14)23/h1-2,4,6-10,23H,3,5H2,(H,21,22)
InChIKeyFDZMYTFQGXULGR-UHFFFAOYSA-N
XLogP4.04
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]phenol
CID 135755905
[2-(4-fluorophenyl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 59384881
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175
4-[3-(2-hydroxyphenyl)-1-methyl-5-phenylpyrazol-4-yl]butanenitrile
CID 136603806
4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
CID 59384969
3-(5-fluoro-2-hydroxyphenyl)propanenitrile
CID 130883570
3-[4-(4-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901086
2-(4,5-diethyl-1H-imidazol-2-yl)phenol
CID 139127100
3-[2,4-bis(4-fluorophenyl)-1H-imidazol-5-yl]-1H-indole
CID 139758003
3-[2-(4-bromophenyl)phenyl]propanenitrile
CID 22565261

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile (CID 67549385) is 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile is N#CCCc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1O.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile?
The InChIKey is FDZMYTFQGXULGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c19-13-9-7-12(8-10-13)18-21-15(5-3-11-20)17(22-18)14-4-1-2-6-16(14)23/h1-2,4,6-10,23H,3,5H2,(H,21,22).
What are the key properties of 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile?
3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile has a molecular weight of 307.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-(2-hydroxyphenyl)-1H-imidazol-5-yl]propanenitrile is sourced from PubChem (CID 67549385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).