3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine

C21H19N3O2 — CID 18678213

IUPAC3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine
SMILESc1ccc(COc2ccc(OCCn3cnc4ccncc43)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-4-17(5-3-1)15-26-19-8-6-18(7-9-19)25-13-12-24-16-23-20-10-11-22-14-21(20)24/h1-11,14,16H,12-13,15H2
InChIKeyITVDMFDGOIENEG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.09
Rot. Bonds7

About 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine

3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine (PubChem CID 18678213) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine
PubChem CID18678213
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine
SMILESc1ccc(COc2ccc(OCCn3cnc4ccncc43)cc2)cc1
InChIInChI=1S/C21H19N3O2/c1-2-4-17(5-3-1)15-26-19-8-6-18(7-9-19)25-13-12-24-16-23-20-10-11-22-14-21(20)24/h1-11,14,16H,12-13,15H2
InChIKeyITVDMFDGOIENEG-UHFFFAOYSA-N
XLogP4.09
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
1-[3-(4-phenylmethoxyphenoxy)propyl]-1,2,4-triazole
CID 2199997
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
2-(2-hydroxyethoxy)ethanol;phenoxymethylbenzene
CID 174311801
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-(2-phenoxyethyl)-7,8-dihydro-6H-[1,4]dioxepino[2,3-f]benzimidazole
CID 18525467
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-iodo-5-phenylmethoxypyrimidine
CID 153056979

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine (CID 18678213) is 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine is c1ccc(COc2ccc(OCCn3cnc4ccncc43)cc2)cc1.
What is the InChIKey of 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine?
The InChIKey is ITVDMFDGOIENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-4-17(5-3-1)15-26-19-8-6-18(7-9-19)25-13-12-24-16-23-20-10-11-22-14-21(20)24/h1-11,14,16H,12-13,15H2.
What are the key properties of 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine?
3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine has a molecular weight of 345.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenylmethoxyphenoxy)ethyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 18678213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).