2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine

C28H25N3O2 — CID 23026037

IUPAC2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CCCOc2ccccc2)c1
InChIInChI=1S/C28H25N3O2/c1-32-25-15-8-12-22(18-25)28-30-27-26(19-23(20-29-27)21-10-4-2-5-11-21)31(28)16-9-17-33-24-13-6-3-7-14-24/h2-8,10-15,18-20H,9,16-17H2,1H3
InChIKeyVRJRBKCIAIALNO-UHFFFAOYSA-N
MW435.53 g/mol
LogP6.24
Rot. Bonds8

About 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine

2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine (PubChem CID 23026037) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
PubChem CID23026037
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CCCOc2ccccc2)c1
InChIInChI=1S/C28H25N3O2/c1-32-25-15-8-12-22(18-25)28-30-27-26(19-23(20-29-27)21-10-4-2-5-11-21)31(28)16-9-17-33-24-13-6-3-7-14-24/h2-8,10-15,18-20H,9,16-17H2,1H3
InChIKeyVRJRBKCIAIALNO-UHFFFAOYSA-N
XLogP6.24
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
CID 23025801
2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
CID 91421360
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 23025780
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
2-(4-methoxyphenyl)-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 17001320
2-(3-methoxyphenyl)-1-[4-(2-methylphenoxy)butyl]benzimidazole
CID 17001768
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine (CID 23026037) is 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine is COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CCCOc2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine?
The InChIKey is VRJRBKCIAIALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-32-25-15-8-12-22(18-25)28-30-27-26(19-23(20-29-27)21-10-4-2-5-11-21)31(28)16-9-17-33-24-13-6-3-7-14-24/h2-8,10-15,18-20H,9,16-17H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine?
2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine has a molecular weight of 435.53 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23026037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).