4,6-dibutyl-2-(4,6-dibutyl-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 4318376

IUPAC4,6-dibutyl-2-(4,6-dibutyl-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
SMILESCCCCN1C(=O)N(CCCC)C2OC(C3OC4C(O3)N(CCCC)C(=O)N4CCCC)OC21
InChIInChI=1S/C24H42N4O6/c1-5-9-13-25-17-18(26(23(25)29)14-10-6-2)32-21(31-17)22-33-19-20(34-22)28(16-12-8-4)24(30)27(19)15-11-7-3/h17-22H,5-16H2,1-4H3
InChIKeyKRZRVHPJWDIBFT-UHFFFAOYSA-N
MW482.62 g/mol
LogP3.71
Rot. Bonds13

About 4,6-dibutyl-2-(4,6-dibutyl-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-dibutyl-2-(4,6-dibutyl-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 4318376) has the molecular formula C24H42N4O6 and a molecular weight of 482.62 g/mol. Its IUPAC name is 4,6-dibutyl-2-(4,6-dibutyl-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 Name4,6-dibutyl-2-(4,6-dibutyl-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 CID4318376
Molecular FormulaC24H42N4O6
Molecular Weight482.62 g/mol
Exact Mass482.31
IUPAC Name4,6-dibutyl-2-(4,6-dibutyl-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
SMILESCCCCN1C(=O)N(CCCC)C2OC(C3OC4C(O3)N(CCCC)C(=O)N4CCCC)OC21
InChIInChI=1S/C24H42N4O6/c1-5-9-13-25-17-18(26(23(25)29)14-10-6-2)32-21(31-17)22-33-19-20(34-22)28(16-12-8-4)24(30)27(19)15-11-7-3/h17-22H,5-16H2,1-4H3
InChIKeyKRZRVHPJWDIBFT-UHFFFAOYSA-N
XLogP3.71
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-dibutyl-2-(4,6-dibutyl-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 with MolForge

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Related Compounds

2,2'-Bi([1,3]-dioxolo[4,5-d]imidazole), 4,4',6,6'-tetramethyl-5,5'-dioxo-
CID 574525
4-Tert-butyl-2-(4-tert-butyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 4441587
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
(2S,3aR,6aS)-2-[(2R,3aS,6aR)-4-cyclohexyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-cyclohexyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 6558459
(2S,3aR,6aS)-2-[(2R,3aS,6aR)-4-tert-butyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-tert-butyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 16093103
(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 704971
(3aR,6aS)-2-[(3aS,6aR)-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 1502159
(2S,3aS,6aR)-2-[(2S,3aS,6aR)-4-cyclohexyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-cyclohexyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 1502622
(2R,3aR,6aS)-2-[(2R,3aS,6aR)-4-tert-butyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-tert-butyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 1521462
2-(5-Oxo-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-4,6-dipropyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 3288808
4-Cyclohexyl-2-(4-cyclohexyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl)-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 3885617
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

Frequently Asked Questions

What is the IUPAC name of 4,6-dibutyl-2-(4,6-dibutyl-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-dibutyl-2-(4,6-dibutyl-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 4318376) is 4,6-dibutyl-2-(4,6-dibutyl-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-dibutyl-2-(4,6-dibutyl-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-dibutyl-2-(4,6-dibutyl-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 CCCCN1C(=O)N(CCCC)C2OC(C3OC4C(O3)N(CCCC)C(=O)N4CCCC)OC21.
What is the InChIKey of 4,6-dibutyl-2-(4,6-dibutyl-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 KRZRVHPJWDIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O6/c1-5-9-13-25-17-18(26(23(25)29)14-10-6-2)32-21(31-17)22-33-19-20(34-22)28(16-12-8-4)24(30)27(19)15-11-7-3/h17-22H,5-16H2,1-4H3.
What are the key properties of 4,6-dibutyl-2-(4,6-dibutyl-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-dibutyl-2-(4,6-dibutyl-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, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibutyl-2-(4,6-dibutyl-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 4318376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).