5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine

C23H16BrN3 — CID 10387070

IUPAC5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4cccc5ccccc45)nc-3c2)cc1
InChIInChI=1S/C23H16BrN3/c24-18-10-8-16(9-11-18)14-27-13-12-21-22(15-27)26-23(25-21)20-7-3-5-17-4-1-2-6-19(17)20/h1-13,15H,14H2
InChIKeyJEZQKDRQFVEXFY-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.01
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine

5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine (PubChem CID 10387070) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine
PubChem CID10387070
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4cccc5ccccc45)nc-3c2)cc1
InChIInChI=1S/C23H16BrN3/c24-18-10-8-16(9-11-18)14-27-13-12-21-22(15-27)26-23(25-21)20-7-3-5-17-4-1-2-6-19(17)20/h1-13,15H,14H2
InChIKeyJEZQKDRQFVEXFY-UHFFFAOYSA-N
XLogP6.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine (CID 10387070) is 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine is Brc1ccc(Cn2ccc3nc(-c4cccc5ccccc45)nc-3c2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine?
The InChIKey is JEZQKDRQFVEXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c24-18-10-8-16(9-11-18)14-27-13-12-21-22(15-27)26-23(25-21)20-7-3-5-17-4-1-2-6-19(17)20/h1-13,15H,14H2.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine has a molecular weight of 414.31 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-naphthalen-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 10387070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).