8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine

C22H15Br2N3O — CID 134309521

About 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine

8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 134309521) has the molecular formula C22H15Br2N3O and a molecular weight of 497.19 g/mol. Its IUPAC name is 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

• Compound Name: 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
• PubChem CID: 134309521
• Molecular Formula: C22H15Br2N3O
• Molecular Weight: 497.19 g/mol
• Exact Mass: 494.96
• IUPAC Name: 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine
• SMILES: Cc1ccoc1-c1ncn2c1CN=C(c1ccccc1Br)c1cc(Br)ccc1-2
• InChI: InChI=1S/C22H15Br2N3O/c1-13-8-9-28-22(13)21-19-11-25-20(15-4-2-3-5-17(15)24)16-10-14(23)6-7-18(16)27(19)12-26-21/h2-10,12H,11H2,1H3
• InChIKey: NCTJJYVHBDLVMZ-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 43.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.19
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The IUPAC name of 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 134309521) is 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine.

What is the SMILES notation for 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The canonical SMILES for 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine is Cc1ccoc1-c1ncn2c1CN=C(c1ccccc1Br)c1cc(Br)ccc1-2.

What is the InChIKey of 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The InChIKey is NCTJJYVHBDLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Br2N3O/c1-13-8-9-28-22(13)21-19-11-25-20(15-4-2-3-5-17(15)24)16-10-14(23)6-7-18(16)27(19)12-26-21/h2-10,12H,11H2,1H3.

What are the key properties of 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 497.19 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-6-(2-bromophenyl)-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 134309521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).