2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine

C19H13Cl2N3O — CID 3730844

IUPAC2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O/c20-14-8-9-15(16(21)11-14)19-23-18-17(7-4-10-22-18)24(19)25-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyODGMNIWCYMMMBK-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.03
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine

2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine (PubChem CID 3730844) has the molecular formula C19H13Cl2N3O and a molecular weight of 370.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine
PubChem CID3730844
Molecular FormulaC19H13Cl2N3O
Molecular Weight370.24 g/mol
Exact Mass369.04
IUPAC Name2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H13Cl2N3O/c20-14-8-9-15(16(21)11-14)19-23-18-17(7-4-10-22-18)24(19)25-12-13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyODGMNIWCYMMMBK-UHFFFAOYSA-N
XLogP5.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.03
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-phenylmethoxyimidazo[4,5-b]pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine (CID 3730844) is 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine is Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine?
The InChIKey is ODGMNIWCYMMMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N3O/c20-14-8-9-15(16(21)11-14)19-23-18-17(7-4-10-22-18)24(19)25-12-13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine?
2-(2,4-dichlorophenyl)-1-phenylmethoxyimidazo[4,5-b]pyridine has a molecular weight of 370.24 g/mol, XLogP of 5.03, 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-phenylmethoxyimidazo[4,5-b]pyridine is sourced from PubChem (CID 3730844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).