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

C139H119Cl3N20O15 — CID 158758188

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

7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 158758188) has the molecular formula C139H119Cl3N20O15 and a molecular weight of 2415.96 g/mol. Its IUPAC name is 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• PubChem CID: 158758188
• Molecular Formula: C139H119Cl3N20O15
• Molecular Weight: 2415.96 g/mol
• Exact Mass: 2412.82
• IUPAC Name: 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• SMILES: CN1C(=O)C(Cc2ccc(-c3c[nH]c4ccccc34)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3cccnc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3ncccn3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3c[nH]c4ccccc34)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3cccnc3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ncccn3)cc1)C(=O)N2C
• InChI: InChI=1S/C26H23N3O3.C25H20ClN3O2.C23H21N3O3.C22H18ClN3O2.C22H20N4O3.C21H17ClN4O2/c1-29-24-12-11-18(32-2)14-20(24)25(30)28-23(26(29)31)13-16-7-9-17(10-8-16)21-15-27-22-6-4-3-5-19(21)22;1-29-23-11-10-17(26)13-19(23)24(30)28-22(25(29)31)12-15-6-8-16(9-7-15)20-14-27-21-5-3-2-4-18(20)21;1-26-21-10-9-18(29-2)13-19(21)22(27)25-20(23(26)28)12-15-5-7-16(8-6-15)17-4-3-11-24-14-17;1-26-20-9-8-17(23)12-18(20)21(27)25-19(22(26)28)11-14-4-6-15(7-5-14)16-3-2-10-24-13-16;1-26-19-9-8-16(29-2)13-17(19)21(27)25-18(22(26)28)12-14-4-6-15(7-5-14)20-23-10-3-11-24-20;1-26-18-8-7-15(22)12-16(18)20(27)25-17(21(26)28)11-13-3-5-14(6-4-13)19-23-9-2-10-24-19/h3-12,14-15,23,27H,13H2,1-2H3,(H,28,30);2-11,13-14,22,27H,12H2,1H3,(H,28,30);3-11,13-14,20H,12H2,1-2H3,(H,25,27);2-10,12-13,19H,11H2,1H3,(H,25,27);3-11,13,18H,12H2,1-2H3,(H,25,27);2-10,12,17H,11H2,1H3,(H,25,27)
• InChIKey: IOIKVJWULHYTGY-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 433.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.96
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 158758188) is 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

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

The canonical SMILES for 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2ccc(-c3c[nH]c4ccccc34)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3cccnc3)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(-c3ncccn3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3c[nH]c4ccccc34)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3cccnc3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ncccn3)cc1)C(=O)N2C.

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

The InChIKey is IOIKVJWULHYTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3.C25H20ClN3O2.C23H21N3O3.C22H18ClN3O2.C22H20N4O3.C21H17ClN4O2/c1-29-24-12-11-18(32-2)14-20(24)25(30)28-23(26(29)31)13-16-7-9-17(10-8-16)21-15-27-22-6-4-3-5-19(21)22;1-29-23-11-10-17(26)13-19(23)24(30)28-22(25(29)31)12-15-6-8-16(9-7-15)20-14-27-21-5-3-2-4-18(20)21;1-26-21-10-9-18(29-2)13-19(21)22(27)25-20(23(26)28)12-15-5-7-16(8-6-15)17-4-3-11-24-14-17;1-26-20-9-8-17(23)12-18(20)21(27)25-19(22(26)28)11-14-4-6-15(7-5-14)16-3-2-10-24-13-16;1-26-19-9-8-16(29-2)13-17(19)21(27)25-18(22(26)28)12-14-4-6-15(7-5-14)20-23-10-3-11-24-20;1-26-18-8-7-15(22)12-16(18)20(27)25-17(21(26)28)11-13-3-5-14(6-4-13)19-23-9-2-10-24-19/h3-12,14-15,23,27H,13H2,1-2H3,(H,28,30);2-11,13-14,22,27H,12H2,1H3,(H,28,30);3-11,13-14,20H,12H2,1-2H3,(H,25,27);2-10,12-13,19H,11H2,1H3,(H,25,27);3-11,13,18H,12H2,1-2H3,(H,25,27);2-10,12,17H,11H2,1H3,(H,25,27).

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

7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 2415.96 g/mol, XLogP of 21.35, 21 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[[4-(1H-indol-3-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(1H-indol-3-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[(4-pyrimidin-2-ylphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 158758188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).