2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one

C101H149N19O9 — CID 159211100

About 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one

2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one (PubChem CID 159211100) has the molecular formula C101H149N19O9 and a molecular weight of 1773.43 g/mol. Its IUPAC name is 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one.

Molecular Properties

• Compound Name: 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
• PubChem CID: 159211100
• Molecular Formula: C101H149N19O9
• Molecular Weight: 1773.43 g/mol
• Exact Mass: 1772.18
• IUPAC Name: 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=C2CN(C)C(=O)c3ccccc3N2C1=O.CN1Cc2cn(C)c(=O)n2-c2ccccc2C1=O.CN1Cc2nnnn2-c2ccccc2C1=O.COc1nnc2n1-c1ccccc1C(=O)N(C)C2.Cc1cc2n(c1C)-c1ccccc1C(=O)N(C)C2.Cc1ncc2n1-c1ccccc1C(=O)N(C)C2
• InChI: InChI=1S/C15H16N2O.C14H14N2O2.C13H13N3O2.C13H13N3O.C12H12N4O2.C10H9N5O.12C2H6/c1-10-8-12-9-16(3)15(18)13-6-4-5-7-14(13)17(12)11(10)2;1-9-7-10-8-15(2)14(18)11-5-3-4-6-12(11)16(10)13(9)17;1-14-7-9-8-15(2)13(18)16(9)11-6-4-3-5-10(11)12(14)17;1-9-14-7-10-8-15(2)13(17)11-5-3-4-6-12(11)16(9)10;1-15-7-10-13-14-12(18-2)16(10)9-6-4-3-5-8(9)11(15)17;1-14-6-9-11-12-13-15(9)8-5-3-2-4-7(8)10(14)16;12*1-2/h4-8H,9H2,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-7H,8H2,1-2H3;3-6H,7H2,1-2H3;2-5H,6H2,1H3;12*1-2H3
• InChIKey: KQMSCGSCGYDJPA-UHFFFAOYSA-N
• XLogP: 20.27
• TPSA: 275.39 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 1
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1773.43
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?

The IUPAC name of 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one (CID 159211100) is 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one.

What is the SMILES notation for 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?

The canonical SMILES for 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1C=C2CN(C)C(=O)c3ccccc3N2C1=O.CN1Cc2cn(C)c(=O)n2-c2ccccc2C1=O.CN1Cc2nnnn2-c2ccccc2C1=O.COc1nnc2n1-c1ccccc1C(=O)N(C)C2.Cc1cc2n(c1C)-c1ccccc1C(=O)N(C)C2.Cc1ncc2n1-c1ccccc1C(=O)N(C)C2.

What is the InChIKey of 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?

The InChIKey is KQMSCGSCGYDJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O.C14H14N2O2.C13H13N3O2.C13H13N3O.C12H12N4O2.C10H9N5O.12C2H6/c1-10-8-12-9-16(3)15(18)13-6-4-5-7-14(13)17(12)11(10)2;1-9-7-10-8-15(2)14(18)11-5-3-4-6-12(11)16(10)13(9)17;1-14-7-9-8-15(2)13(18)16(9)11-6-4-3-5-10(11)12(14)17;1-9-14-7-10-8-15(2)13(17)11-5-3-4-6-12(11)16(9)10;1-15-7-10-13-14-12(18-2)16(10)9-6-4-3-5-8(9)11(15)17;1-14-6-9-11-12-13-15(9)8-5-3-2-4-7(8)10(14)16;12*1-2/h4-8H,9H2,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-7H,8H2,1-2H3;3-6H,7H2,1-2H3;2-5H,6H2,1H3;12*1-2H3.

What are the key properties of 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one?

2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one has a molecular weight of 1773.43 g/mol, XLogP of 20.27, 1 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-2,4-dihydropyrrolo[1,2-a][1,4]benzodiazepine-1,6-dione;2,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-1,6-dione;1,5-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;ethane;1-methoxy-5-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;5-methyl-4H-tetrazolo[1,5-a][1,4]benzodiazepin-6-one;1,2,5-trimethyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 159211100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).