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

C22H16ClN5O — CID 18779694

IUPAC4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H16ClN5O/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)
InChIKeyUASVLVFMMOUKBG-UHFFFAOYSA-N
MW401.86 g/mol
LogP3.86
Rot. Bonds5

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

4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile (PubChem CID 18779694) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
PubChem CID18779694
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(C(Cc2ccc(-n3cc(Cl)ccc3=O)nc2)c2ncc[nH]2)cc1
InChIInChI=1S/C22H16ClN5O/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)
InChIKeyUASVLVFMMOUKBG-UHFFFAOYSA-N
XLogP3.86
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 53.86
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?
The IUPAC name of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile (CID 18779694) is 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile is 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?
The InChIKey is UASVLVFMMOUKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O/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).
What are the key properties of 4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile?
4-[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(1H-imidazol-2-yl)ethyl]benzonitrile has a molecular weight of 401.86 g/mol, XLogP of 3.86, 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 is sourced from PubChem (CID 18779694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).