5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine

C20H16BrN3O — CID 10363200

IUPAC5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H16BrN3O/c1-25-17-4-2-3-15(11-17)20-22-18-9-10-24(13-19(18)23-20)12-14-5-7-16(21)8-6-14/h2-11,13H,12H2,1H3
InChIKeyPEBZAZAARWNKJL-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.87
Rot. Bonds4

About 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine

5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine (PubChem CID 10363200) has the molecular formula C20H16BrN3O and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine
PubChem CID10363200
Molecular FormulaC20H16BrN3O
Molecular Weight394.27 g/mol
Exact Mass393.05
IUPAC Name5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine
SMILESCOc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H16BrN3O/c1-25-17-4-2-3-15(11-17)20-22-18-9-10-24(13-19(18)23-20)12-14-5-7-16(21)8-6-14/h2-11,13H,12H2,1H3
InChIKeyPEBZAZAARWNKJL-UHFFFAOYSA-N
XLogP4.87
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine (CID 10363200) is 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine is COc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine?
The InChIKey is PEBZAZAARWNKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O/c1-25-17-4-2-3-15(11-17)20-22-18-9-10-24(13-19(18)23-20)12-14-5-7-16(21)8-6-14/h2-11,13H,12H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine has a molecular weight of 394.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 10363200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).