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

C20H16BrN3O2 — CID 69214242

IUPAC6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C20H16BrN3O2/c1-25-18-9-14(19-23-16-10-15(21)11-22-20(16)24-19)7-8-17(18)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyAVWPLOKVUPIOEL-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.97
Rot. Bonds5

About 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 69214242) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID69214242
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C20H16BrN3O2/c1-25-18-9-14(19-23-16-10-15(21)11-22-20(16)24-19)7-8-17(18)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,24)
InChIKeyAVWPLOKVUPIOEL-UHFFFAOYSA-N
XLogP4.97
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(2-methoxyphenyl)methyl]aniline
CID 10070065
6-bromo-2-naphthalen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025864
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135768542
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
6-bromo-2-(3-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026040
6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine
CID 23025816
2-(3-methoxy-4-phenylmethoxyphenyl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 4921922
N-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-1-phenylmethanimine
CID 110170715
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 69214242) is 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is COc1cc(-c2nc3ncc(Br)cc3[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AVWPLOKVUPIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-25-18-9-14(19-23-16-10-15(21)11-22-20(16)24-19)7-8-17(18)26-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23,24).
What are the key properties of 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 410.27 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 69214242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).