4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile

C22H17N5O — CID 18779680

IUPAC4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3ccccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H17N5O/c23-14-16-4-7-18(8-5-16)19(22-24-10-11-25-22)13-17-6-9-20(26-15-17)27-12-2-1-3-21(27)28/h1-12,15,19H,13H2,(H,24,25)
InChIKeyKLOPMZIBGISYTR-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.20
Rot. Bonds5

About 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile

4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile (PubChem CID 18779680) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile
PubChem CID18779680
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3ccccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H17N5O/c23-14-16-4-7-18(8-5-16)19(22-24-10-11-25-22)13-17-6-9-20(26-15-17)27-12-2-1-3-21(27)28/h1-12,15,19H,13H2,(H,24,25)
InChIKeyKLOPMZIBGISYTR-UHFFFAOYSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile?
The IUPAC name of 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile (CID 18779680) is 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile?
The canonical SMILES for 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile is N#Cc1ccc(C(Cc2ccc(-n3ccccc3=O)nc2)c2ncc[nH]2)cc1.
What is the InChIKey of 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile?
The InChIKey is KLOPMZIBGISYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-14-16-4-7-18(8-5-16)19(22-24-10-11-25-22)13-17-6-9-20(26-15-17)27-12-2-1-3-21(27)28/h1-12,15,19H,13H2,(H,24,25).
What are the key properties of 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile?
4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-yl)-2-[6-(2-oxo-1-pyridinyl)-3-pyridinyl]ethyl]benzonitrile is sourced from PubChem (CID 18779680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).