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

C90H82Cl2N12O10 — CID 159536925

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

7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 159536925) has the molecular formula C90H82Cl2N12O10 and a molecular weight of 1562.63 g/mol. Its IUPAC name is 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• PubChem CID: 159536925
• Molecular Formula: C90H82Cl2N12O10
• Molecular Weight: 1562.63 g/mol
• Exact Mass: 1560.57
• IUPAC Name: 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• SMILES: CN1C(=O)C(Cc2ccc(C3=CCN=C3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCN=C3)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1
• InChI: InChI=1S/C24H23N3O3.C23H20ClN3O2.C22H21N3O3.C21H18ClN3O2/c1-15-12-18(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;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-25-20-8-7-17(28-2)12-18(20)21(26)24-19(22(25)27)11-14-3-5-15(6-4-14)16-9-10-23-13-16;1-25-19-7-6-16(22)11-17(19)20(26)24-18(21(25)27)10-13-2-4-14(5-3-13)15-8-9-23-12-15/h4-12,14,21H,13H2,1-3H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);3-9,12-13,19H,10-11H2,1-2H3,(H,24,26);2-8,11-12,18H,9-10H2,1H3,(H,24,26)
• InChIKey: MDSCOFBQOSCYJB-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 266.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1562.63
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 159536925) is 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

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

The canonical SMILES for 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2ccc(C3=CCN=C3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCN=C3)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1.

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

The InChIKey is MDSCOFBQOSCYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3.C23H20ClN3O2.C22H21N3O3.C21H18ClN3O2/c1-15-12-18(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;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-25-20-8-7-17(28-2)12-18(20)21(26)24-19(22(25)27)11-14-3-5-15(6-4-14)16-9-10-23-13-16;1-25-19-7-6-16(22)11-17(19)20(26)24-18(21(25)27)10-13-2-4-14(5-3-13)15-8-9-23-12-15/h4-12,14,21H,13H2,1-3H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);3-9,12-13,19H,10-11H2,1-2H3,(H,24,26);2-8,11-12,18H,9-10H2,1H3,(H,24,26).

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

7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 1562.63 g/mol, XLogP of 13.02, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-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-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 159536925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).