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

C120H230N20O30 — CID 158563450

IUPAC1,3,4,6-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
SMILESCCCCCCOCN1C(=O)N(COCCCCCC)C2C1N(COCCCCCC)C(=O)N2COCCCCCC.CCCCCOCN1C(=O)N(COCCCCC)C2C1N(COCCCCC)C(=O)N2COCCCCC.CCCCOCN1C(=O)N(COCCCC)C2C1N(COCCCC)C(=O)N2COCCCC.CCCOCN1C(=O)N(COCCC)C2C1N(COCCC)C(=O)N2COCCC.CCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC
InChIInChI=1S/C32H62N4O6.C28H54N4O6.C24H46N4O6.C20H38N4O6.C16H30N4O6/c1-5-9-13-17-21-39-25-33-29-30(35(31(33)37)27-41-23-19-15-11-7-3)36(28-42-24-20-16-12-8-4)32(38)34(29)26-40-22-18-14-10-6-2;1-5-9-13-17-35-21-29-25-26(31(27(29)33)23-37-19-15-11-7-3)32(24-38-20-16-12-8-4)28(34)30(25)22-36-18-14-10-6-2;1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2;1-5-9-27-13-21-17-18(23(19(21)25)15-29-11-7-3)24(16-30-12-8-4)20(26)22(17)14-28-10-6-2;1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h29-30H,5-28H2,1-4H3;25-26H,5-24H2,1-4H3;21-22H,5-20H2,1-4H3;17-18H,5-16H2,1-4H3;13-14H,5-12H2,1-4H3
InChIKeyHREFFMICKRBREJ-UHFFFAOYSA-N
MW2433.27 g/mol
LogP21.05
Rot. Bonds100

About 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

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 (PubChem CID 158563450) has the molecular formula C120H230N20O30 and a molecular weight of 2433.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,4,6-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
PubChem CID158563450
Molecular FormulaC120H230N20O30
Molecular Weight2433.27 g/mol
Exact Mass2431.71
IUPAC Name1,3,4,6-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
SMILESCCCCCCOCN1C(=O)N(COCCCCCC)C2C1N(COCCCCCC)C(=O)N2COCCCCCC.CCCCCOCN1C(=O)N(COCCCCC)C2C1N(COCCCCC)C(=O)N2COCCCCC.CCCCOCN1C(=O)N(COCCCC)C2C1N(COCCCC)C(=O)N2COCCCC.CCCOCN1C(=O)N(COCCC)C2C1N(COCCC)C(=O)N2COCCC.CCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC
InChIInChI=1S/C32H62N4O6.C28H54N4O6.C24H46N4O6.C20H38N4O6.C16H30N4O6/c1-5-9-13-17-21-39-25-33-29-30(35(31(33)37)27-41-23-19-15-11-7-3)36(28-42-24-20-16-12-8-4)32(38)34(29)26-40-22-18-14-10-6-2;1-5-9-13-17-35-21-29-25-26(31(27(29)33)23-37-19-15-11-7-3)32(24-38-20-16-12-8-4)28(34)30(25)22-36-18-14-10-6-2;1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2;1-5-9-27-13-21-17-18(23(19(21)25)15-29-11-7-3)24(16-30-12-8-4)20(26)22(17)14-28-10-6-2;1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h29-30H,5-28H2,1-4H3;25-26H,5-24H2,1-4H3;21-22H,5-20H2,1-4H3;17-18H,5-16H2,1-4H3;13-14H,5-12H2,1-4H3
InChIKeyHREFFMICKRBREJ-UHFFFAOYSA-N
XLogP21.05
TPSA420.10 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds100
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002433.27
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3,4-bis(butoxymethyl)-1,6-diethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 58468494
3,4,6-tris(butoxymethyl)-1-(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 137402364
4,5-dibutoxy-1,3-bis(butoxymethyl)imidazolidin-2-one
CID 46928657
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
azane;1-propoxyoctane
CID 88631627
1-butoxydotriacontane
CID 91693232
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1-(3-ethoxypropoxy)tetradecane
CID 91693148
1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 142290124
pentane;1-propoxypentane
CID 174500651
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCOCN1C(=O)N(COCCCCCC)C2C1N(COCCCCCC)C(=O)N2COCCCCCC.CCCCCOCN1C(=O)N(COCCCCC)C2C1N(COCCCCC)C(=O)N2COCCCCC.CCCCOCN1C(=O)N(COCCCC)C2C1N(COCCCC)C(=O)N2COCCCC.CCCOCN1C(=O)N(COCCC)C2C1N(COCCC)C(=O)N2COCCC.CCOCN1C(=O)N(COCC)C2C1N(COCC)C(=O)N2COCC.
What is the InChIKey of 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?
The InChIKey is HREFFMICKRBREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N4O6.C28H54N4O6.C24H46N4O6.C20H38N4O6.C16H30N4O6/c1-5-9-13-17-21-39-25-33-29-30(35(31(33)37)27-41-23-19-15-11-7-3)36(28-42-24-20-16-12-8-4)32(38)34(29)26-40-22-18-14-10-6-2;1-5-9-13-17-35-21-29-25-26(31(27(29)33)23-37-19-15-11-7-3)32(24-38-20-16-12-8-4)28(34)30(25)22-36-18-14-10-6-2;1-5-9-13-31-17-25-21-22(27(23(25)29)19-33-15-11-7-3)28(20-34-16-12-8-4)24(30)26(21)18-32-14-10-6-2;1-5-9-27-13-21-17-18(23(19(21)25)15-29-11-7-3)24(16-30-12-8-4)20(26)22(17)14-28-10-6-2;1-5-23-9-17-13-14(19(15(17)21)11-25-7-3)20(12-26-8-4)16(22)18(13)10-24-6-2/h29-30H,5-28H2,1-4H3;25-26H,5-24H2,1-4H3;21-22H,5-20H2,1-4H3;17-18H,5-16H2,1-4H3;13-14H,5-12H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2433.27 g/mol, XLogP of 21.05, 100 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158563450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).