2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine

C18H14ClN3O — CID 23025588

IUPAC2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C18H14ClN3O/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2,(H,20,21,22)
InChIKeyANWSKXWJBGCBRU-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.66
Rot. Bonds4

About 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine

2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 23025588) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID23025588
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1
InChIInChI=1S/C18H14ClN3O/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2,(H,20,21,22)
InChIKeyANWSKXWJBGCBRU-UHFFFAOYSA-N
XLogP4.66
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine (CID 23025588) is 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine is Clc1ccc(CCc2nc3ncc(-c4ccco4)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is ANWSKXWJBGCBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2,(H,20,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine?
2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 323.78 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).