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

C23H18N4O — CID 141101786

IUPAC2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1cncn1Cc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H18N4O/c24-14-20-6-2-1-5-19(20)13-22-15-25-17-26(22)16-18-8-10-21(11-9-18)27-12-4-3-7-23(27)28/h1-12,15,17H,13,16H2
InChIKeySKGJZDSBXBPNKH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.54
Rot. Bonds5

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

2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (PubChem CID 141101786) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
PubChem CID141101786
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cc1cncn1Cc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H18N4O/c24-14-20-6-2-1-5-19(20)13-22-15-25-17-26(22)16-18-8-10-21(11-9-18)27-12-4-3-7-23(27)28/h1-12,15,17H,13,16H2
InChIKeySKGJZDSBXBPNKH-UHFFFAOYSA-N
XLogP3.54
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[[4-(2-ethylphenyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile
CID 22254300
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-[[3-[(2-oxo-1-pyridin-2-yl-4-pyridinyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 15895919
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
5-[[5-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 18779722
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844
4-[[5-[2-[(2-chlorophenyl)methylamino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 141033992
1-[(3-ethylimidazol-4-yl)methyl]-2-oxopyridine-3-carbonitrile
CID 107017493
1-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrole-3-carbonitrile
CID 23646776
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile (CID 141101786) is 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is N#Cc1ccccc1Cc1cncn1Cc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
The InChIKey is SKGJZDSBXBPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c24-14-20-6-2-1-5-19(20)13-22-15-25-17-26(22)16-18-8-10-21(11-9-18)27-12-4-3-7-23(27)28/h1-12,15,17H,13,16H2.
What are the key properties of 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile?
2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile has a molecular weight of 366.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-(2-oxo-1-pyridinyl)phenyl]methyl]imidazol-4-yl]methyl]benzonitrile is sourced from PubChem (CID 141101786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).