3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C18H34N4O4 — CID 58468494

IUPAC3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCCOCN1C(=O)N(CC)C2C1N(COCCCC)C(=O)N2CC
InChIInChI=1S/C18H34N4O4/c1-5-9-11-25-13-21-16-15(19(7-3)17(21)23)20(8-4)18(24)22(16)14-26-12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyUOPSPRSICSNYEN-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.70
Rot. Bonds12

About 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 58468494) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID58468494
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Name3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCCCOCN1C(=O)N(CC)C2C1N(COCCCC)C(=O)N2CC
InChIInChI=1S/C18H34N4O4/c1-5-9-11-25-13-21-16-15(19(7-3)17(21)23)20(8-4)18(24)22(16)14-26-12-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyUOPSPRSICSNYEN-UHFFFAOYSA-N
XLogP2.70
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,6-tris(butoxymethyl)-1-(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 137402364
1,3,4,6-tetrakis(butoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(ethoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(hexoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(pentoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3,4,6-tetrakis(propoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 158563450
4,5-dibutoxy-1,3-bis(butoxymethyl)imidazolidin-2-one
CID 46928657
[(3aR,6aR)-4-(acetyloxymethyl)-1,3-diethyl-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-6-yl]methyl acetate
CID 829189
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
3,4,4,6-tetrakis(butoxymethyl)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-4-ium-2,5-dione
CID 91023941
1,3-diethyl-4,5-dimethoxyimidazolidin-2-one
CID 143815400
1,3-bis(ethenyl)-5-[[1-ethyl-3-[[(E)-4-methoxybut-2-enoxy]methyl]-4-(methoxymethyl)-2,5-dioxo-3a,6a-dihydroimidazo[4,5-d]imidazol-6-yl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 59141691
1,3,4,6-tetrakis(methoxymethyl)-5-sulfanylidene-3a,6a-dihydroimidazo[4,5-d]imidazol-2-one
CID 139341175
3-(2-butoxyethyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83253671
3-butyl-1-ethylaziridin-2-one
CID 18006250
2-butoxyethyl(dimethyl)silane
CID 71371340

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 58468494) is 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCCCOCN1C(=O)N(CC)C2C1N(COCCCC)C(=O)N2CC.
What is the InChIKey of 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is UOPSPRSICSNYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4/c1-5-9-11-25-13-21-16-15(19(7-3)17(21)23)20(8-4)18(24)22(16)14-26-12-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 370.49 g/mol, XLogP of 2.70, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 58468494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).