4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile

C22H17N5O — CID 15895919

IUPAC4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1
InChIInChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2
InChIKeyFJUSDQSSZPRNHT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.94
Rot. Bonds5

About 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile

4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 15895919) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID15895919
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1
InChIInChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2
InChIKeyFJUSDQSSZPRNHT-UHFFFAOYSA-N
XLogP2.94
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[[2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-pyridinyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 70276561
4-[[3-[(6-phenyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70342547
4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 22254300
3-[[3-(pyrazin-2-ylmethyl)imidazol-4-yl]methyl]-1-pyridin-2-ylpyridin-2-one
CID 57195802
2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 141101786
4-[[3-[[4-(2-chloro-4-fluorophenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779174
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
4-[[3-[[4-[2-(trifluoromethoxy)phenyl]phenyl]methyl]imidazol-4-yl]methyl]benzonitrile;hydrochloride
CID 70297083
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 18779722
4-[[5-[[4-[(3-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile;4-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 157253306
4-[[5-[(methylideneamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 90951320

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile (CID 15895919) is 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccc(Cc2cncn2Cc2ccn(-c3ccccn3)c(=O)c2)cc1.
What is the InChIKey of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is FJUSDQSSZPRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-13-18-6-4-17(5-7-18)11-20-14-24-16-26(20)15-19-8-10-27(22(28)12-19)21-3-1-2-9-25-21/h1-10,12,14,16H,11,15H2.
What are the key properties of 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile?
4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 15895919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).