1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine

C19H12Cl3N3O — CID 3321151

IUPAC1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine
SMILESClc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1
InChIInChI=1S/C19H12Cl3N3O/c20-13-5-3-12(4-6-13)11-26-25-17-2-1-9-23-18(17)24-19(25)15-8-7-14(21)10-16(15)22/h1-10H,11H2
InChIKeyYMZVLZHCYJIACQ-UHFFFAOYSA-N
MW404.68 g/mol
LogP5.69
Rot. Bonds4

About 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine

1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine (PubChem CID 3321151) has the molecular formula C19H12Cl3N3O and a molecular weight of 404.68 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine
PubChem CID3321151
Molecular FormulaC19H12Cl3N3O
Molecular Weight404.68 g/mol
Exact Mass403.00
IUPAC Name1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine
SMILESClc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1
InChIInChI=1S/C19H12Cl3N3O/c20-13-5-3-12(4-6-13)11-26-25-17-2-1-9-23-18(17)24-19(25)15-8-7-14(21)10-16(15)22/h1-10H,11H2
InChIKeyYMZVLZHCYJIACQ-UHFFFAOYSA-N
XLogP5.69
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine (CID 3321151) is 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine is Clc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine?
The InChIKey is YMZVLZHCYJIACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3O/c20-13-5-3-12(4-6-13)11-26-25-17-2-1-9-23-18(17)24-19(25)15-8-7-14(21)10-16(15)22/h1-10H,11H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine?
1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine has a molecular weight of 404.68 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 3321151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).