8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

C117H101Br2N23O9 — CID 158159564

About 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide

8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (PubChem CID 158159564) has the molecular formula C117H101Br2N23O9 and a molecular weight of 2133.05 g/mol. Its IUPAC name is 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

Molecular Properties

• Compound Name: 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
• PubChem CID: 158159564
• Molecular Formula: C117H101Br2N23O9
• Molecular Weight: 2133.05 g/mol
• Exact Mass: 2129.65
• IUPAC Name: 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
• SMILES: C[C@@H]1N=C(c2ccccc2Br)c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.C[C@@H]1N=C(c2ccccc2[N+](=O)[O-])c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.C[C@H]1N=C(c2ccccn2)c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.NC(=O)c1ncn2c1CN=C(c1ccccc1Br)c1cc(C34CC(C3)C4)ccc1-2.NC(=O)c1ncn2c1CN=C(c1ccccc1[N+](=O)[O-])c1cc(C34CC(C3)C4)ccc1-2
• InChI: InChI=1S/C24H21BrN4O.C24H21N5O3.C23H19BrN4O.C23H19N5O3.C23H21N5O/c1-13-22-21(23(26)30)27-12-29(22)19-7-6-15(24-9-14(10-24)11-24)8-17(19)20(28-13)16-4-2-3-5-18(16)25;1-13-22-21(23(25)30)26-12-28(22)18-7-6-15(24-9-14(10-24)11-24)8-17(18)20(27-13)16-4-2-3-5-19(16)29(31)32;24-17-4-2-1-3-15(17)20-16-7-14(23-8-13(9-23)10-23)5-6-18(16)28-12-27-21(22(25)29)19(28)11-26-20;24-22(29)21-19-11-25-20(15-3-1-2-4-18(15)28(30)31)16-7-14(23-8-13(9-23)10-23)5-6-17(16)27(19)12-26-21;1-13-21-20(22(24)29)26-12-28(21)18-6-5-15(23-9-14(10-23)11-23)8-16(18)19(27-13)17-4-2-3-7-25-17/h2-8,12-14H,9-11H2,1H3,(H2,26,30);2-8,12-14H,9-11H2,1H3,(H2,25,30);1-7,12-13H,8-11H2,(H2,25,29);1-7,12-13H,8-11H2,(H2,24,29);2-8,12-14H,9-11H2,1H3,(H2,24,29)/t2*13-,14?,24?;;;13-,14?,23?/m00..1/s1
• InChIKey: FWCJKKFAHBXOOI-XYAUGKGMSA-N
• XLogP: 19.29
• TPSA: 465.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.05
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?

The IUPAC name of 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide (CID 158159564) is 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide.

What is the SMILES notation for 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?

The canonical SMILES for 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is C[C@@H]1N=C(c2ccccc2Br)c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.C[C@@H]1N=C(c2ccccc2[N+](=O)[O-])c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.C[C@H]1N=C(c2ccccn2)c2cc(C34CC(C3)C4)ccc2-n2cnc(C(N)=O)c21.NC(=O)c1ncn2c1CN=C(c1ccccc1Br)c1cc(C34CC(C3)C4)ccc1-2.NC(=O)c1ncn2c1CN=C(c1ccccc1[N+](=O)[O-])c1cc(C34CC(C3)C4)ccc1-2.

What is the InChIKey of 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?

The InChIKey is FWCJKKFAHBXOOI-XYAUGKGMSA-N. The full InChI is InChI=1S/C24H21BrN4O.C24H21N5O3.C23H19BrN4O.C23H19N5O3.C23H21N5O/c1-13-22-21(23(26)30)27-12-29(22)19-7-6-15(24-9-14(10-24)11-24)8-17(19)20(28-13)16-4-2-3-5-18(16)25;1-13-22-21(23(25)30)26-12-28(22)18-7-6-15(24-9-14(10-24)11-24)8-17(18)20(27-13)16-4-2-3-5-19(16)29(31)32;24-17-4-2-1-3-15(17)20-16-7-14(23-8-13(9-23)10-23)5-6-18(16)28-12-27-21(22(25)29)19(28)11-26-20;24-22(29)21-19-11-25-20(15-3-1-2-4-18(15)28(30)31)16-7-14(23-8-13(9-23)10-23)5-6-17(16)27(19)12-26-21;1-13-21-20(22(24)29)26-12-28(21)18-6-5-15(23-9-14(10-23)11-23)8-16(18)19(27-13)17-4-2-3-7-25-17/h2-8,12-14H,9-11H2,1H3,(H2,26,30);2-8,12-14H,9-11H2,1H3,(H2,25,30);1-7,12-13H,8-11H2,(H2,25,29);1-7,12-13H,8-11H2,(H2,24,29);2-8,12-14H,9-11H2,1H3,(H2,24,29)/t2*13-,14?,24?;;;13-,14?,23?/m00..1/s1.

What are the key properties of 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide?

8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide has a molecular weight of 2133.05 g/mol, XLogP of 19.29, 17 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-6-(2-bromophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4S)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;(4R)-8-(1-bicyclo[1.1.1]pentanyl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide;8-(1-bicyclo[1.1.1]pentanyl)-6-(2-nitrophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide is sourced from PubChem (CID 158159564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).