4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile

C17H13N3O — CID 59384969

IUPAC4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)c(CO)[nH]2)cc1
InChIInChI=1S/C17H13N3O/c18-10-12-6-8-14(9-7-12)17-19-15(11-21)16(20-17)13-4-2-1-3-5-13/h1-9,21H,11H2,(H,19,20)
InChIKeyCGVPFMJPQURQOJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.11
Rot. Bonds3

About 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile

4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile (PubChem CID 59384969) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
PubChem CID59384969
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)c(CO)[nH]2)cc1
InChIInChI=1S/C17H13N3O/c18-10-12-6-8-14(9-7-12)17-19-15(11-21)16(20-17)13-4-2-1-3-5-13/h1-9,21H,11H2,(H,19,20)
InChIKeyCGVPFMJPQURQOJ-UHFFFAOYSA-N
XLogP3.11
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile 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

[4-(1H-indol-2-yl)-2-phenyl-1H-imidazol-5-yl]methanol
CID 151497251
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335
4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile
CID 59385123
5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984
[2-(4-fluorophenyl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 59384881
1-[(2,4-diphenyl-1H-imidazol-5-yl)methyl]piperazine
CID 123641592
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
CID 135872784
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
CID 61352383

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile?
The IUPAC name of 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile (CID 59384969) is 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)c(CO)[nH]2)cc1.
What is the InChIKey of 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile?
The InChIKey is CGVPFMJPQURQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c18-10-12-6-8-14(9-7-12)17-19-15(11-21)16(20-17)13-4-2-1-3-5-13/h1-9,21H,11H2,(H,19,20).
What are the key properties of 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile?
4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile has a molecular weight of 275.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-4-phenyl-1H-imidazol-2-yl]benzonitrile is sourced from PubChem (CID 59384969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).