2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one

C21H19Cl2N3O — CID 11773959

IUPAC2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCC(C)N1CCc2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)c2C1=O
InChIInChI=1S/C21H19Cl2N3O/c1-13(2)25-11-10-18-19(21(25)27)26(17-8-6-15(22)7-9-17)20(24-18)14-4-3-5-16(23)12-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyACAMTZSJYSAJGM-UHFFFAOYSA-N
MW400.31 g/mol
LogP5.25
Rot. Bonds3

About 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one

2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 11773959) has the molecular formula C21H19Cl2N3O and a molecular weight of 400.31 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID11773959
Molecular FormulaC21H19Cl2N3O
Molecular Weight400.31 g/mol
Exact Mass399.09
IUPAC Name2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCC(C)N1CCc2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)c2C1=O
InChIInChI=1S/C21H19Cl2N3O/c1-13(2)25-11-10-18-19(21(25)27)26(17-8-6-15(22)7-9-17)20(24-18)14-4-3-5-16(23)12-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyACAMTZSJYSAJGM-UHFFFAOYSA-N
XLogP5.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one (CID 11773959) is 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one is CC(C)N1CCc2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)c2C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is ACAMTZSJYSAJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O/c1-13(2)25-11-10-18-19(21(25)27)26(17-8-6-15(22)7-9-17)20(24-18)14-4-3-5-16(23)12-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 400.31 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-propan-2-yl-6,7-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 11773959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).