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

C135H99Br6ClFIN20O8 — CID 158486222

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

(4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 158486222) has the molecular formula C135H99Br6ClFIN20O8 and a molecular weight of 2790.19 g/mol. Its IUPAC name is (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

• Compound Name: (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
• PubChem CID: 158486222
• Molecular Formula: C135H99Br6ClFIN20O8
• Molecular Weight: 2790.19 g/mol
• Exact Mass: 2782.18
• IUPAC Name: (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
• SMILES: C[C@H]1N=C(c2ccccc2I)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1Cl)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1F)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccn1)c1cc(Br)ccc1-2
• InChI: InChI=1S/C23H17BrClN3O.C23H17BrFN3O.C23H18BrN3O.C22H15BrIN3O.C22H15BrN4O3.C22H17BrN4O/c2*1-13-9-10-29-23(13)21-22-14(2)27-20(16-5-3-4-6-18(16)25)17-11-15(24)7-8-19(17)28(22)12-26-21;1-14-10-11-28-23(14)21-22-15(2)26-20(16-6-4-3-5-7-16)18-12-17(24)8-9-19(18)27(22)13-25-21;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;1-13-22-21(19-7-4-10-30-19)24-12-26(22)17-9-8-14(23)11-16(17)20(25-13)15-5-2-3-6-18(15)27(28)29;1-13-8-10-28-22(13)20-21-14(2)26-19(17-5-3-4-9-24-17)16-11-15(23)6-7-18(16)27(21)12-25-20/h2*3-12,14H,1-2H3;3-13,15H,1-2H3;2-13H,1H3;2-13H,1H3;3-12,14H,1-2H3/t2*14-;15-;2*13-;14-/m111111/s1
• InChIKey: HIDAXIAILUEATN-VKPZRSMYSA-N
• XLogP: 36.77
• TPSA: 315.95 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2790.19
LogP ≤ 5	36.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?

The IUPAC name of (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 158486222) is (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.

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

The canonical SMILES for (4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is C[C@H]1N=C(c2ccccc2I)c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.C[C@H]1N=C(c2ccccc2[N+](=O)[O-])c2cc(Br)ccc2-n2cnc(-c3ccco3)c21.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1Cl)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccc1F)c1cc(Br)ccc1-2.Cc1ccoc1-c1ncn2c1[C@@H](C)N=C(c1ccccn1)c1cc(Br)ccc1-2.

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

The InChIKey is HIDAXIAILUEATN-VKPZRSMYSA-N. The full InChI is InChI=1S/C23H17BrClN3O.C23H17BrFN3O.C23H18BrN3O.C22H15BrIN3O.C22H15BrN4O3.C22H17BrN4O/c2*1-13-9-10-29-23(13)21-22-14(2)27-20(16-5-3-4-6-18(16)25)17-11-15(24)7-8-19(17)28(22)12-26-21;1-14-10-11-28-23(14)21-22-15(2)26-20(16-6-4-3-5-7-16)18-12-17(24)8-9-19(18)27(22)13-25-21;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;1-13-22-21(19-7-4-10-30-19)24-12-26(22)17-9-8-14(23)11-16(17)20(25-13)15-5-2-3-6-18(15)27(28)29;1-13-8-10-28-22(13)20-21-14(2)26-19(17-5-3-4-9-24-17)16-11-15(23)6-7-18(16)27(21)12-25-20/h2*3-12,14H,1-2H3;3-13,15H,1-2H3;2-13H,1H3;2-13H,1H3;3-12,14H,1-2H3/t2*14-;15-;2*13-;14-/m111111/s1.

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

(4R)-8-bromo-6-(2-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 2790.19 g/mol, XLogP of 36.77, 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-chlorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-3-(3-methylfuran-2-yl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-6-(2-iodophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-3-(furan-2-yl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine;(4R)-8-bromo-4-methyl-3-(3-methylfuran-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 158486222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).