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

C20H15Cl2N3O — CID 4298883

IUPAC2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine
SMILESCc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1
InChIInChI=1S/C20H15Cl2N3O/c1-13-4-6-14(7-5-13)12-26-25-18-3-2-10-23-19(18)24-20(25)16-9-8-15(21)11-17(16)22/h2-11H,12H2,1H3
InChIKeyCOGWQKWMKKWWTG-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.34
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine (PubChem CID 4298883) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine
PubChem CID4298883
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine
SMILESCc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1
InChIInChI=1S/C20H15Cl2N3O/c1-13-4-6-14(7-5-13)12-26-25-18-3-2-10-23-19(18)24-20(25)16-9-8-15(21)11-17(16)22/h2-11H,12H2,1H3
InChIKeyCOGWQKWMKKWWTG-UHFFFAOYSA-N
XLogP5.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine (CID 4298883) is 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine is Cc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine?
The InChIKey is COGWQKWMKKWWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c1-13-4-6-14(7-5-13)12-26-25-18-3-2-10-23-19(18)24-20(25)16-9-8-15(21)11-17(16)22/h2-11H,12H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine?
2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine has a molecular weight of 384.27 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[(4-methylphenyl)methoxy]imidazo[4,5-b]pyridine is sourced from PubChem (CID 4298883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).