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

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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).