1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one

C20H16ClN3O — CID 661626

IUPAC1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2cc(Cl)cnc2n1Cc1ccccc1
InChIInChI=1S/C20H16ClN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyOCHRYOCOJQPCER-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.95
Rot. Bonds4

About 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one

1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one (PubChem CID 661626) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one
PubChem CID661626
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC Name1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(Cc2ccccc2)c2cc(Cl)cnc2n1Cc1ccccc1
InChIInChI=1S/C20H16ClN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyOCHRYOCOJQPCER-UHFFFAOYSA-N
XLogP3.95
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one (CID 661626) is 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one is O=c1n(Cc2ccccc2)c2cc(Cl)cnc2n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one?
The InChIKey is OCHRYOCOJQPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O/c21-17-11-18-19(22-12-17)24(14-16-9-5-2-6-10-16)20(25)23(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one?
1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one has a molecular weight of 349.82 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-chloroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 661626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).