4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride

C22H17Cl2N5O — CID 18779693

IUPAC4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H16ClN5O.ClH/c23-18-6-8-21(29)28(14-18)20-7-3-16(13-27-20)11-19(22-25-9-10-26-22)17-4-1-15(12-24)2-5-17;/h1-10,13-14,19H,11H2,(H,25,26);1H
InChIKeyJLBUMPZUUXABQI-UHFFFAOYSA-N
MW438.32 g/mol
LogP4.28
Rot. Bonds5

About 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride

4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride (PubChem CID 18779693) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride
PubChem CID18779693
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H16ClN5O.ClH/c23-18-6-8-21(29)28(14-18)20-7-3-16(13-27-20)11-19(22-25-9-10-26-22)17-4-1-15(12-24)2-5-17;/h1-10,13-14,19H,11H2,(H,25,26);1H
InChIKeyJLBUMPZUUXABQI-UHFFFAOYSA-N
XLogP4.28
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride?
The IUPAC name of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride (CID 18779693) is 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride.
What is the SMILES notation for 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride?
The canonical SMILES for 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride is Cl.N#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)c2ncc[nH]2)cc1.
What is the InChIKey of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride?
The InChIKey is JLBUMPZUUXABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O.ClH/c23-18-6-8-21(29)28(14-18)20-7-3-16(13-27-20)11-19(22-25-9-10-26-22)17-4-1-15(12-24)2-5-17;/h1-10,13-14,19H,11H2,(H,25,26);1H.
What are the key properties of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride?
4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride has a molecular weight of 438.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile;hydrochloride is sourced from PubChem (CID 18779693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).