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

C16H26N4O6 — CID 4519854

IUPAC2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCCN1C(=O)N(CC)C2OC(C3OC4C(O3)N(CC)C(=O)N4CC)OC21
InChIInChI=1S/C16H26N4O6/c1-5-17-9-10(18(6-2)15(17)21)24-13(23-9)14-25-11-12(26-14)20(8-4)16(22)19(11)7-3/h9-14H,5-8H2,1-4H3
InChIKeyIXHKDTATVZWBHC-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.59
Rot. Bonds5

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

2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (PubChem CID 4519854) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.

Molecular Properties

Compound Name2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
PubChem CID4519854
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Name2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCCN1C(=O)N(CC)C2OC(C3OC4C(O3)N(CC)C(=O)N4CC)OC21
InChIInChI=1S/C16H26N4O6/c1-5-17-9-10(18(6-2)15(17)21)24-13(23-9)14-25-11-12(26-14)20(8-4)16(22)19(11)7-3/h9-14H,5-8H2,1-4H3
InChIKeyIXHKDTATVZWBHC-UHFFFAOYSA-N
XLogP0.59
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The IUPAC name of 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (CID 4519854) is 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.
What is the SMILES notation for 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The canonical SMILES for 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is CCN1C(=O)N(CC)C2OC(C3OC4C(O3)N(CC)C(=O)N4CC)OC21.
What is the InChIKey of 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The InChIKey is IXHKDTATVZWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-5-17-9-10(18(6-2)15(17)21)24-13(23-9)14-25-11-12(26-14)20(8-4)16(22)19(11)7-3/h9-14H,5-8H2,1-4H3.
What are the key properties of 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one has a molecular weight of 370.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-diethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is sourced from PubChem (CID 4519854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).