4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile

C23H17N3O — CID 54442529

IUPAC4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C23H17N3O/c24-15-17-11-13-18(14-12-17)16-26-22(20-9-5-2-6-10-20)21(25-23(26)27)19-7-3-1-4-8-19/h1-14H,16H2,(H,25,27)
InChIKeyWPDAVEZKVHBOPH-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.43
Rot. Bonds4

About 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile

4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile (PubChem CID 54442529) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile
PubChem CID54442529
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C23H17N3O/c24-15-17-11-13-18(14-12-17)16-26-22(20-9-5-2-6-10-20)21(25-23(26)27)19-7-3-1-4-8-19/h1-14H,16H2,(H,25,27)
InChIKeyWPDAVEZKVHBOPH-UHFFFAOYSA-N
XLogP4.43
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(2-methyl-4-pyridinyl)-4-phenyl-1H-imidazol-2-one;phosphoryl trichloride
CID 91154496
4-[(2-benzyl-3,5-dioxo-6-phenyl-1,2,4-triazin-4-yl)methyl]benzonitrile
CID 171781835
4-[(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)methyl]benzonitrile
CID 2398166
4-[(4-hydroxy-2-oxo-1H-imidazol-3-yl)methyl]benzonitrile
CID 91543065
4-[[4-(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 56861118
4-(3-benzyl-2,6-dioxo-7-propylpurin-8-yl)benzonitrile
CID 4878838
4-[(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)methyl]benzonitrile
CID 24965032
3-benzyl-4-(methylamino)-2-oxo-1H-imidazole-5-carbonitrile
CID 10513541
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
1,3-dibenzyl-4-(4-chlorophenyl)-2,6-dioxopyrimidine-5-carbonitrile
CID 1201999
1-benzyl-2-phenylindole-5-carbonitrile
CID 134943475
4-[[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzonitrile
CID 2598097

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile (CID 54442529) is 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile is N#Cc1ccc(Cn2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile?
The InChIKey is WPDAVEZKVHBOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c24-15-17-11-13-18(14-12-17)16-26-22(20-9-5-2-6-10-20)21(25-23(26)27)19-7-3-1-4-8-19/h1-14H,16H2,(H,25,27).
What are the key properties of 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile?
4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)methyl]benzonitrile is sourced from PubChem (CID 54442529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).