5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one

C18H13ClN4O — CID 86269405

IUPAC5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClN4O/c1-22-11-12(2-7-17(22)24)18-21-15-8-9-20-10-16(15)23(18)14-5-3-13(19)4-6-14/h2-11H,1H3
InChIKeyYLBZVFGRJSRQCJ-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.44
Rot. Bonds2

About 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one

5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one (PubChem CID 86269405) has the molecular formula C18H13ClN4O and a molecular weight of 336.78 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one
PubChem CID86269405
Molecular FormulaC18H13ClN4O
Molecular Weight336.78 g/mol
Exact Mass336.08
IUPAC Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)ccc1=O
InChIInChI=1S/C18H13ClN4O/c1-22-11-12(2-7-17(22)24)18-21-15-8-9-20-10-16(15)23(18)14-5-3-13(19)4-6-14/h2-11H,1H3
InChIKeyYLBZVFGRJSRQCJ-UHFFFAOYSA-N
XLogP3.44
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one (CID 86269405) is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one is Cn1cc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)ccc1=O.
What is the InChIKey of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one?
The InChIKey is YLBZVFGRJSRQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O/c1-22-11-12(2-7-17(22)24)18-21-15-8-9-20-10-16(15)23(18)14-5-3-13(19)4-6-14/h2-11H,1H3.
What are the key properties of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one?
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one has a molecular weight of 336.78 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 86269405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).