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

C135H121Cl3N18O15 — CID 158736561

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

3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 158736561) has the molecular formula C135H121Cl3N18O15 and a molecular weight of 2341.92 g/mol. Its IUPAC name is 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• PubChem CID: 158736561
• Molecular Formula: C135H121Cl3N18O15
• Molecular Weight: 2341.92 g/mol
• Exact Mass: 2338.83
• IUPAC Name: 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• SMILES: CN1C(=O)C(Cc2ccc(-c3ccccc3N)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3ccccn3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=N3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccc3N)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccn3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCC=N3)cc1)C(=O)N2C
• InChI: InChI=1S/C24H23N3O3.C23H20ClN3O2.C23H21N3O3.C22H18ClN3O2.C22H21N3O3.C21H18ClN3O2/c1-27-22-12-11-17(30-2)14-19(22)23(28)26-21(24(27)29)13-15-7-9-16(10-8-15)18-5-3-4-6-20(18)25;1-27-21-11-10-16(24)13-18(21)22(28)26-20(23(27)29)12-14-6-8-15(9-7-14)17-4-2-3-5-19(17)25;1-26-21-11-10-17(29-2)14-18(21)22(27)25-20(23(26)28)13-15-6-8-16(9-7-15)19-5-3-4-12-24-19;1-26-20-10-9-16(23)13-17(20)21(27)25-19(22(26)28)12-14-5-7-15(8-6-14)18-4-2-3-11-24-18;1-25-20-10-9-16(28-2)13-17(20)21(26)24-19(22(25)27)12-14-5-7-15(8-6-14)18-4-3-11-23-18;1-25-19-9-8-15(22)12-16(19)20(26)24-18(21(25)27)11-13-4-6-14(7-5-13)17-3-2-10-23-17/h3-12,14,21H,13,25H2,1-2H3,(H,26,28);2-11,13,20H,12,25H2,1H3,(H,26,28);3-12,14,20H,13H2,1-2H3,(H,25,27);2-11,13,19H,12H2,1H3,(H,25,27);4-11,13,19H,3,12H2,1-2H3,(H,24,26);3-10,12,18H,2,11H2,1H3,(H,24,26)
• InChIKey: ILTDXSCSJOTOOJ-UHFFFAOYSA-N
• XLogP: 20.26
• TPSA: 426.69 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2341.92
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 158736561) is 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

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

The canonical SMILES for 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2ccc(-c3ccccc3N)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3ccccn3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCC=N3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccc3N)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccccn3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCC=N3)cc1)C(=O)N2C.

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

The InChIKey is ILTDXSCSJOTOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3.C23H20ClN3O2.C23H21N3O3.C22H18ClN3O2.C22H21N3O3.C21H18ClN3O2/c1-27-22-12-11-17(30-2)14-19(22)23(28)26-21(24(27)29)13-15-7-9-16(10-8-15)18-5-3-4-6-20(18)25;1-27-21-11-10-16(24)13-18(21)22(28)26-20(23(27)29)12-14-6-8-15(9-7-14)17-4-2-3-5-19(17)25;1-26-21-11-10-17(29-2)14-18(21)22(27)25-20(23(26)28)13-15-6-8-16(9-7-15)19-5-3-4-12-24-19;1-26-20-10-9-16(23)13-17(20)21(27)25-19(22(26)28)12-14-5-7-15(8-6-14)18-4-2-3-11-24-18;1-25-20-10-9-16(28-2)13-17(20)21(26)24-19(22(25)27)12-14-5-7-15(8-6-14)18-4-3-11-23-18;1-25-19-9-8-15(22)12-16(19)20(26)24-18(21(25)27)11-13-4-6-14(7-5-13)17-3-2-10-23-17/h3-12,14,21H,13,25H2,1-2H3,(H,26,28);2-11,13,20H,12,25H2,1H3,(H,26,28);3-12,14,20H,13H2,1-2H3,(H,25,27);2-11,13,19H,12H2,1H3,(H,25,27);4-11,13,19H,3,12H2,1-2H3,(H,24,26);3-10,12,18H,2,11H2,1H3,(H,24,26).

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

3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 2341.92 g/mol, XLogP of 20.26, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-(2-aminophenyl)phenyl]methyl]-7-chloro-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(2-aminophenyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(3H-pyrrol-5-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 158736561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).