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

C20H16BrN3 — CID 11740366

IUPAC5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H16BrN3/c1-14-3-2-4-16(11-14)20-22-18-9-10-24(13-19(18)23-20)12-15-5-7-17(21)8-6-15/h2-11,13H,12H2,1H3
InChIKeyMOZZWONAWARIKB-UHFFFAOYSA-N
MW378.27 g/mol
LogP5.17
Rot. Bonds3

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

5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 11740366) has the molecular formula C20H16BrN3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID11740366
Molecular FormulaC20H16BrN3
Molecular Weight378.27 g/mol
Exact Mass377.05
IUPAC Name5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1
InChIInChI=1S/C20H16BrN3/c1-14-3-2-4-16(11-14)20-22-18-9-10-24(13-19(18)23-20)12-15-5-7-17(21)8-6-15/h2-11,13H,12H2,1H3
InChIKeyMOZZWONAWARIKB-UHFFFAOYSA-N
XLogP5.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.27
LogP ≤ 55.17
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-(3-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine (CID 11740366) is 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine is Cc1cccc(-c2nc3ccn(Cc4ccc(Br)cc4)cc-3n2)c1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is MOZZWONAWARIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3/c1-14-3-2-4-16(11-14)20-22-18-9-10-24(13-19(18)23-20)12-15-5-7-17(21)8-6-15/h2-11,13H,12H2,1H3.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-(3-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 378.27 g/mol, XLogP of 5.17, 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-(3-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 11740366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).