7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C130H105Cl3N20O15 — CID 159898475

About 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 159898475) has the molecular formula C130H105Cl3N20O15 and a molecular weight of 2293.75 g/mol. Its IUPAC name is 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• PubChem CID: 159898475
• Molecular Formula: C130H105Cl3N20O15
• Molecular Weight: 2293.75 g/mol
• Exact Mass: 2290.71
• IUPAC Name: 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccn3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3cccnc3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ncccn3)cc1)C(=O)N2.O=C1NC(Cc2ccc(-c3c[nH]c4ccccc34)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(-c3cccnc3)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(-c3ncccn3)cc2)C(=O)Nc2ccc(Cl)cc21
• InChI: InChI=1S/C24H18ClN3O2.2C22H19N3O3.C21H16ClN3O2.C21H18N4O3.C20H15ClN4O2/c25-16-9-10-21-18(12-16)23(29)28-22(24(30)27-21)11-14-5-7-15(8-6-14)19-13-26-20-4-2-1-3-17(19)20;1-28-17-8-9-19-18(12-17)21(26)25-20(22(27)24-19)11-14-4-6-15(7-5-14)16-3-2-10-23-13-16;1-28-16-9-10-19-17(13-16)21(26)25-20(22(27)24-19)12-14-5-7-15(8-6-14)18-4-2-3-11-23-18;22-16-7-8-18-17(11-16)20(26)25-19(21(27)24-18)10-13-3-5-14(6-4-13)15-2-1-9-23-12-15;1-28-15-7-8-17-16(12-15)20(26)25-18(21(27)24-17)11-13-3-5-14(6-4-13)19-22-9-2-10-23-19;21-14-6-7-16-15(11-14)19(26)25-17(20(27)24-16)10-12-2-4-13(5-3-12)18-22-8-1-9-23-18/h1-10,12-13,22,26H,11H2,(H,27,30)(H,28,29);2-10,12-13,20H,11H2,1H3,(H,24,27)(H,25,26);2-11,13,20H,12H2,1H3,(H,24,27)(H,25,26);1-9,11-12,19H,10H2,(H,24,27)(H,25,26);2-10,12,18H,11H2,1H3,(H,24,27)(H,25,26);1-9,11,17H,10H2,(H,24,27)(H,25,26)
• InChIKey: NVQOWCLFTSYROS-UHFFFAOYSA-N
• XLogP: 20.11
• TPSA: 482.91 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2293.75
LogP ≤ 5	20.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The IUPAC name of 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 159898475) is 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

What is the SMILES notation for 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The canonical SMILES for 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccn3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3cccnc3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ncccn3)cc1)C(=O)N2.O=C1NC(Cc2ccc(-c3c[nH]c4ccccc34)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(-c3cccnc3)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(-c3ncccn3)cc2)C(=O)Nc2ccc(Cl)cc21.

What is the InChIKey of 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The InChIKey is NVQOWCLFTSYROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2.2C22H19N3O3.C21H16ClN3O2.C21H18N4O3.C20H15ClN4O2/c25-16-9-10-21-18(12-16)23(29)28-22(24(30)27-21)11-14-5-7-15(8-6-14)19-13-26-20-4-2-1-3-17(19)20;1-28-17-8-9-19-18(12-17)21(26)25-20(22(27)24-19)11-14-4-6-15(7-5-14)16-3-2-10-23-13-16;1-28-16-9-10-19-17(13-16)21(26)25-20(22(27)24-19)12-14-5-7-15(8-6-14)18-4-2-3-11-23-18;22-16-7-8-18-17(11-16)20(26)25-19(21(27)24-18)10-13-3-5-14(6-4-13)15-2-1-9-23-12-15;1-28-15-7-8-17-16(12-15)20(26)25-18(21(27)24-17)11-13-3-5-14(6-4-13)19-22-9-2-10-23-19;21-14-6-7-16-15(11-14)19(26)25-17(20(27)24-16)10-12-2-4-13(5-3-12)18-22-8-1-9-23-18/h1-10,12-13,22,26H,11H2,(H,27,30)(H,28,29);2-10,12-13,20H,11H2,1H3,(H,24,27)(H,25,26);2-11,13,20H,12H2,1H3,(H,24,27)(H,25,26);1-9,11-12,19H,10H2,(H,24,27)(H,25,26);2-10,12,18H,11H2,1H3,(H,24,27)(H,25,26);1-9,11,17H,10H2,(H,24,27)(H,25,26).

What are the key properties of 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 2293.75 g/mol, XLogP of 20.11, 21 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 159898475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).