5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

C124H95BrClIN22O7 — CID 158930369

About 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (PubChem CID 158930369) has the molecular formula C124H95BrClIN22O7 and a molecular weight of 2247.53 g/mol. Its IUPAC name is 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
• PubChem CID: 158930369
• Molecular Formula: C124H95BrClIN22O7
• Molecular Weight: 2247.53 g/mol
• Exact Mass: 2244.57
• IUPAC Name: 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
• SMILES: Brc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.Clc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.Ic1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.O=[N+]([O-])c1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.c1ccc(C2=NCc3c(-c4cnco4)ncn3-c3ccc(C45CC(C4)C5)cc32)nc1
• InChI: InChI=1S/C25H19BrN4O.C25H19ClN4O.C25H19IN4O.C25H19N5O3.C24H19N5O/c3*26-19-4-2-1-3-17(19)23-18-7-16(25-8-15(9-25)10-25)5-6-20(18)30-13-29-24(21(30)11-28-23)22-12-27-14-31-22;31-30(32)20-4-2-1-3-17(20)23-18-7-16(25-8-15(9-25)10-25)5-6-19(18)29-13-28-24(21(29)11-27-23)22-12-26-14-33-22;1-2-6-26-18(3-1)22-17-7-16(24-8-15(9-24)10-24)4-5-19(17)29-13-28-23(20(29)11-27-22)21-12-25-14-30-21/h3*1-7,12-15H,8-11H2;1-7,12-15H,8-11H2;1-7,12-15H,8-11H2
• InChIKey: JIYZAJRXVMCQTQ-UHFFFAOYSA-N
• XLogP: 25.97
• TPSA: 337.08 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2247.53
LogP ≤ 5	25.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?

The IUPAC name of 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (CID 158930369) is 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

What is the SMILES notation for 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?

The canonical SMILES for 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is Brc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.Clc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.Ic1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.O=[N+]([O-])c1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC(C3)C4)cc21.c1ccc(C2=NCc3c(-c4cnco4)ncn3-c3ccc(C45CC(C4)C5)cc32)nc1.

What is the InChIKey of 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?

The InChIKey is JIYZAJRXVMCQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN4O.C25H19ClN4O.C25H19IN4O.C25H19N5O3.C24H19N5O/c3*26-19-4-2-1-3-17(19)23-18-7-16(25-8-15(9-25)10-25)5-6-20(18)30-13-29-24(21(30)11-28-23)22-12-27-14-31-22;31-30(32)20-4-2-1-3-17(20)23-18-7-16(25-8-15(9-25)10-25)5-6-19(18)29-13-28-24(21(29)11-27-23)22-12-26-14-33-22;1-2-6-26-18(3-1)22-17-7-16(24-8-15(9-24)10-24)4-5-19(17)29-13-28-23(20(29)11-27-22)21-12-25-14-30-21/h3*1-7,12-15H,8-11H2;1-7,12-15H,8-11H2;1-7,12-15H,8-11H2.

What are the key properties of 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?

5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole has a molecular weight of 2247.53 g/mol, XLogP of 25.97, 16 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-chlorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-iodophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole;5-[8-(1-bicyclo[1.1.1]pentanyl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is sourced from PubChem (CID 158930369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).