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

C22H16ClN5O2 — CID 57240684

IUPAC2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(OCc1ccc(-n2cc(Cl)ccc2=O)nc1)c1cnc[nH]1
InChIInChI=1S/C22H16ClN5O2/c23-17-6-8-21(29)28(12-17)20-7-5-15(10-26-20)13-30-22(19-11-25-14-27-19)18-4-2-1-3-16(18)9-24/h1-8,10-12,14,22H,13H2,(H,25,27)
InChIKeyLPTOSNKYHITIRV-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.79
Rot. Bonds6

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

2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile (PubChem CID 57240684) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile
PubChem CID57240684
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(OCc1ccc(-n2cc(Cl)ccc2=O)nc1)c1cnc[nH]1
InChIInChI=1S/C22H16ClN5O2/c23-17-6-8-21(29)28(12-17)20-7-5-15(10-26-20)13-30-22(19-11-25-14-27-19)18-4-2-1-3-16(18)9-24/h1-8,10-12,14,22H,13H2,(H,25,27)
InChIKeyLPTOSNKYHITIRV-UHFFFAOYSA-N
XLogP3.79
TPSA96.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile with MolForge

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Related Compounds

6-[[[4-Cyano-3-[2-(trifluoromethyl)phenyl]phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]-2-(oxolan-2-ylmethylamino)pyridine-3-carbonitrile
CID 44391952
N-[1-[3-cyano-6-[[[4-cyano-3-[2-(trifluoromethyl)phenyl]phenyl]-(3-methylimidazol-4-yl)methoxy]methyl]-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 44392050
1-cyclohexyl-4-[2-(1H-imidazol-2-yl)benzoyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one
CID 45159227
5-cyano-2-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 17966034
4-[[(2R)-1-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-5-(1H-imidazol-2-yl)pentan-2-yl]oxymethyl]benzonitrile
CID 18391369
4-[[5-[Butoxy-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 18779678
4-[[3-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-methoxymethyl]benzonitrile
CID 18779691
4-[[5-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-methoxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 18779755
[2-[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-1-(4-cyanophenyl)ethyl] 2-(1H-imidazol-2-yl)acetate
CID 18779761
4-[[3-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methyl]imidazol-4-yl]-hydroxymethyl]benzonitrile
CID 18779774
4-[[5-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 18779780
4-[[5-[[6-(5-Chloro-2-oxo-1-pyridinyl)-3-pyridinyl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 18779781

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile?
The IUPAC name of 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile (CID 57240684) is 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile?
The canonical SMILES for 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile is N#Cc1ccccc1C(OCc1ccc(-n2cc(Cl)ccc2=O)nc1)c1cnc[nH]1.
What is the InChIKey of 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile?
The InChIKey is LPTOSNKYHITIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-17-6-8-21(29)28(12-17)20-7-5-15(10-26-20)13-30-22(19-11-25-14-27-19)18-4-2-1-3-16(18)9-24/h1-8,10-12,14,22H,13H2,(H,25,27).
What are the key properties of 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile?
2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile has a molecular weight of 417.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-chloro-2-oxo-1-pyridinyl)-3-pyridinyl]methoxy-(1H-imidazol-5-yl)methyl]benzonitrile is sourced from PubChem (CID 57240684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).