(4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine

C131H91Br7ClFN20O8 — CID 158669240

About (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine

(4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 158669240) has the molecular formula C131H91Br7ClFN20O8 and a molecular weight of 2687.08 g/mol. Its IUPAC name is (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

• Compound Name: (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine
• PubChem CID: 158669240
• Molecular Formula: C131H91Br7ClFN20O8
• Molecular Weight: 2687.08 g/mol
• Exact Mass: 2678.13
• IUPAC Name: (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine
• SMILES: C[C@H]1N=C(c2ccccc2)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2Br)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2F)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.Cc1ccoc1-c1ncn2c1CN=C(c1ccccc1[N+](=O)[O-])c1cc(Br)ccc1-2
• InChI: InChI=1S/C22H15Br2N3O.C22H15BrClN3O.C22H15BrFN3O.C22H15BrN4O3.C22H16BrN3O.C21H15BrN4O/c3*1-13-22-21(19-7-4-10-28-19)25-12-27(22)18-9-8-14(23)11-16(18)20(26-13)15-5-2-3-6-17(15)24;1-13-8-9-30-22(13)21-19-11-24-20(15-4-2-3-5-18(15)27(28)29)16-10-14(23)6-7-17(16)26(19)12-25-21;1-14-22-21(19-8-5-11-27-19)24-13-26(22)18-10-9-16(23)12-17(18)20(25-14)15-6-3-2-4-7-15;1-13-21-20(18-6-4-10-27-18)24-12-26(21)17-8-7-14(22)11-15(17)19(25-13)16-5-2-3-9-23-16/h3*2-13H,1H3;2-10,12H,11H2,1H3;2-14H,1H3;2-13H,1H3/t3*13-;;14-;13-/m111.11/s1
• InChIKey: IDSXEBCUBGGZSP-RJUOASIHSA-N
• XLogP: 35.45
• TPSA: 315.95 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2687.08
LogP ≤ 5	35.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The IUPAC name of (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 158669240) is (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine.

What is the SMILES notation for (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The canonical SMILES for (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine is C[C@H]1N=C(c2ccccc2)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2Br)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2Cl)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2F)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.Cc1ccoc1-c1ncn2c1CN=C(c1ccccc1[N+](=O)[O-])c1cc(Br)ccc1-2.

What is the InChIKey of (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

The InChIKey is IDSXEBCUBGGZSP-RJUOASIHSA-N. The full InChI is InChI=1S/C22H15Br2N3O.C22H15BrClN3O.C22H15BrFN3O.C22H15BrN4O3.C22H16BrN3O.C21H15BrN4O/c3*1-13-22-21(19-7-4-10-28-19)25-12-27(22)18-9-8-14(23)11-16(18)20(26-13)15-5-2-3-6-17(15)24;1-13-8-9-30-22(13)21-19-11-24-20(15-4-2-3-5-18(15)27(28)29)16-10-14(23)6-7-17(16)26(19)12-25-21;1-14-22-21(19-8-5-11-27-19)24-13-26(22)18-10-9-16(23)12-17(18)20(25-14)15-6-3-2-4-7-15;1-13-21-20(18-6-4-10-27-18)24-12-26(21)17-8-7-14(22)11-15(17)19(25-13)16-5-2-3-9-23-16/h3*2-13H,1H3;2-10,12H,11H2,1H3;2-14H,1H3;2-13H,1H3/t3*13-;;14-;13-/m111.11/s1.

What are the key properties of (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine?

(4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 2687.08 g/mol, XLogP of 35.45, 13 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-bromo-6-(2-bromophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-chlorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-3-(furan-2-yl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine;8-bromo-3-(3-methylfuran-2-yl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 158669240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).