2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine

C27H23N3O2 — CID 59243231

IUPAC2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(CCOc2cc(OCc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C27H23N3O2/c1-3-8-20(9-4-1)13-15-31-23-16-22(26-29-25-12-7-14-28-27(25)30-26)17-24(18-23)32-19-21-10-5-2-6-11-21/h1-12,14,16-18H,13,15,19H2,(H,28,29,30)
InChIKeyKYEDBVFOGHKHAY-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.83
Rot. Bonds8

About 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine

2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 59243231) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID59243231
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine
SMILESc1ccc(CCOc2cc(OCc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C27H23N3O2/c1-3-8-20(9-4-1)13-15-31-23-16-22(26-29-25-12-7-14-28-27(25)30-26)17-24(18-23)32-19-21-10-5-2-6-11-21/h1-12,14,16-18H,13,15,19H2,(H,28,29,30)
InChIKeyKYEDBVFOGHKHAY-UHFFFAOYSA-N
XLogP5.83
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylsulfonylphenyl)methoxy]-5-phenoxyphenyl]-1H-imidazo[4,5-b]pyridine
CID 59243010
2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 66775296
methane;2-[3-propan-2-yloxy-5-(pyridin-4-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 157077401
2-[3-propan-2-yloxy-5-(2-pyridin-2-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
CID 59243058
4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]methyl]aniline
CID 67489922
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 137056908
2-[3,5-bis(phenylmethoxy)phenyl]-6-pent-1-en-2-yl-1H-imidazo[4,5-b]pyridine
CID 67490039
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 63794425
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]acetic acid
CID 19821938
4-[2-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-propan-2-yloxyphenoxy]ethyl]morpholine
CID 59243024
5-chloro-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90357310

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine (CID 59243231) is 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine is c1ccc(CCOc2cc(OCc3ccccc3)cc(-c3nc4ncccc4[nH]3)c2)cc1.
What is the InChIKey of 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is KYEDBVFOGHKHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-3-8-20(9-4-1)13-15-31-23-16-22(26-29-25-12-7-14-28-27(25)30-26)17-24(18-23)32-19-21-10-5-2-6-11-21/h1-12,14,16-18H,13,15,19H2,(H,28,29,30).
What are the key properties of 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine?
2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 421.50 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 59243231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).