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

C22H18N4O — CID 10338219

IUPAC1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nccc2c1ncn2CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H18N4O/c23-15-20-22-21(10-11-24-20)26(16-25-22)12-13-27-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
InChIKeySVQCCXKKUOSWOB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.97
Rot. Bonds6

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

1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 10338219) 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-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID10338219
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile
SMILESN#Cc1nccc2c1ncn2CCOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C22H18N4O/c23-15-20-22-21(10-11-24-20)26(16-25-22)12-13-27-19-8-6-18(7-9-19)14-17-4-2-1-3-5-17/h1-11,16H,12-14H2
InChIKeySVQCCXKKUOSWOB-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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Related Compounds

Etodesnitazene
CID 149797386
2-[4-(4-Fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-yl]propane-1,3-diol
CID 9931156
Sch 28080
CID 108137
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Methyl substituted pyrazole, 27
CID 23648674
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
Benzimidazole deriv. 5
CID 5329405
1-phenyl-5-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1H-1,3-benzodiazole
CID 5329412
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile (CID 10338219) is 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile is N#Cc1nccc2c1ncn2CCOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is SVQCCXKKUOSWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-15-20-22-21(10-11-24-20)26(16-25-22)12-13-27-19-8-6-18(7-9-19)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-c]pyridine-4-carbonitrile?
1-[2-(4-benzylphenoxy)ethyl]imidazo[4,5-c]pyridine-4-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-c]pyridine-4-carbonitrile is sourced from PubChem (CID 10338219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).