7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C91H82Cl2N12O10 — CID 160609138

About 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 160609138) has the molecular formula C91H82Cl2N12O10 and a molecular weight of 1574.64 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• PubChem CID: 160609138
• Molecular Formula: C91H82Cl2N12O10
• Molecular Weight: 1574.64 g/mol
• Exact Mass: 1572.57
• IUPAC Name: 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cn1.O=C1NC(Cc2ccc(C3=CCN=C3)cc2)C(=O)Nc2ccc(Cl)cc21
• InChI: InChI=1S/2C24H23N3O3.C23H20ClN3O2.C20H16ClN3O2/c1-15-4-7-18(14-25-15)17-8-5-16(6-9-17)12-21-24(29)27(2)22-11-10-19(30-3)13-20(22)23(28)26-21;1-15-12-18(10-11-25-15)17-6-4-16(5-7-17)13-21-24(29)27(2)22-9-8-19(30-3)14-20(22)23(28)26-21;1-14-3-6-17(13-25-14)16-7-4-15(5-8-16)11-20-23(29)27(2)21-10-9-18(24)12-19(21)22(28)26-20;21-15-5-6-17-16(10-15)19(25)24-18(20(26)23-17)9-12-1-3-13(4-2-12)14-7-8-22-11-14/h4-11,13-14,21H,12H2,1-3H3,(H,26,28);4-12,14,21H,13H2,1-3H3,(H,26,28);3-10,12-13,20H,11H2,1-2H3,(H,26,28);1-7,10-11,18H,8-9H2,(H,23,26)(H,24,25)
• InChIKey: RFGTWXMFTSYHHU-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 275.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.64
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?

The IUPAC name of 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 160609138) is 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

What is the SMILES notation for 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?

The canonical SMILES for 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.Cc1ccc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)cn1.O=C1NC(Cc2ccc(C3=CCN=C3)cc2)C(=O)Nc2ccc(Cl)cc21.

What is the InChIKey of 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?

The InChIKey is RFGTWXMFTSYHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N3O3.C23H20ClN3O2.C20H16ClN3O2/c1-15-4-7-18(14-25-15)17-8-5-16(6-9-17)12-21-24(29)27(2)22-11-10-19(30-3)13-20(22)23(28)26-21;1-15-12-18(10-11-25-15)17-6-4-16(5-7-17)13-21-24(29)27(2)22-9-8-19(30-3)14-20(22)23(28)26-21;1-14-3-6-17(13-25-14)16-7-4-15(5-8-16)11-20-23(29)27(2)21-10-9-18(24)12-19(21)22(28)26-20;21-15-5-6-17-16(10-15)19(25)24-18(20(26)23-17)9-12-1-3-13(4-2-12)14-7-8-22-11-14/h4-11,13-14,21H,12H2,1-3H3,(H,26,28);4-12,14,21H,13H2,1-3H3,(H,26,28);3-10,12-13,20H,11H2,1-2H3,(H,26,28);1-7,10-11,18H,8-9H2,(H,23,26)(H,24,25).

What are the key properties of 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?

7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 1574.64 g/mol, XLogP of 13.90, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 160609138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).