1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile

C22H18N4O — CID 11725669

IUPAC1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
InChIKeyJWKUNIZVUVRCMJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.97
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile

1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile (PubChem CID 11725669) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile
PubChem CID11725669
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1
InChIInChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
InChIKeyJWKUNIZVUVRCMJ-UHFFFAOYSA-N
XLogP3.97
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile (CID 11725669) is 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile is N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile?
The InChIKey is JWKUNIZVUVRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-15-19-8-11-21-22(25-19)24-16-26(21)12-13-27-20-9-6-18(7-10-20)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile?
1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-b]pyridine-5-carbonitrile is sourced from PubChem (CID 11725669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).