4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

C24H42N4O6 — CID 4582167

About 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (PubChem CID 4582167) has the molecular formula C24H42N4O6 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.

Molecular Properties

• Compound Name: 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
• PubChem CID: 4582167
• Molecular Formula: C24H42N4O6
• Molecular Weight: 482.62 g/mol
• Exact Mass: 482.31
• IUPAC Name: 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
• SMILES: CCC(C)N1C(=O)N(C(C)CC)C2OC(C3OC4C(O3)N(C(C)CC)C(=O)N4C(C)CC)OC21
• InChI: InChI=1S/C24H42N4O6/c1-9-13(5)25-17-18(26(23(25)29)14(6)10-2)32-21(31-17)22-33-19-20(34-22)28(16(8)12-4)24(30)27(19)15(7)11-3/h13-22H,9-12H2,1-8H3
• InChIKey: QLRHCESXBPXTFI-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 84.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.62
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?

The IUPAC name of 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (CID 4582167) is 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.

What is the SMILES notation for 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?

The canonical SMILES for 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is CCC(C)N1C(=O)N(C(C)CC)C2OC(C3OC4C(O3)N(C(C)CC)C(=O)N4C(C)CC)OC21.

What is the InChIKey of 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?

The InChIKey is QLRHCESXBPXTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O6/c1-9-13(5)25-17-18(26(23(25)29)14(6)10-2)32-21(31-17)22-33-19-20(34-22)28(16(8)12-4)24(30)27(19)15(7)11-3/h13-22H,9-12H2,1-8H3.

What are the key properties of 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?

4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one has a molecular weight of 482.62 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-di(butan-2-yl)-2-[4,6-di(butan-2-yl)-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is sourced from PubChem (CID 4582167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).