3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

C20H34N6O6 — CID 3133151

IUPAC3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCN(CC(O)CN3C(=O)NC(C)(C)C3=O)CC2)C1=O
InChIInChI=1S/C20H34N6O6/c1-19(2)15(29)25(17(31)21-19)11-13(27)9-23-5-7-24(8-6-23)10-14(28)12-26-16(30)20(3,4)22-18(26)32/h13-14,27-28H,5-12H2,1-4H3,(H,21,31)(H,22,32)
InChIKeyKNVBPMIPDLGJEE-UHFFFAOYSA-N
MW454.53 g/mol
LogP-2.01
Rot. Bonds8

About 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 3133151) has the molecular formula C20H34N6O6 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID3133151
Molecular FormulaC20H34N6O6
Molecular Weight454.53 g/mol
Exact Mass454.25
IUPAC Name3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2CCN(CC(O)CN3C(=O)NC(C)(C)C3=O)CC2)C1=O
InChIInChI=1S/C20H34N6O6/c1-19(2)15(29)25(17(31)21-19)11-13(27)9-23-5-7-24(8-6-23)10-14(28)12-26-16(30)20(3,4)22-18(26)32/h13-14,27-28H,5-12H2,1-4H3,(H,21,31)(H,22,32)
InChIKeyKNVBPMIPDLGJEE-UHFFFAOYSA-N
XLogP-2.01
TPSA145.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 3133151) is 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2CCN(CC(O)CN3C(=O)NC(C)(C)C3=O)CC2)C1=O.
What is the InChIKey of 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KNVBPMIPDLGJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O6/c1-19(2)15(29)25(17(31)21-19)11-13(27)9-23-5-7-24(8-6-23)10-14(28)12-26-16(30)20(3,4)22-18(26)32/h13-14,27-28H,5-12H2,1-4H3,(H,21,31)(H,22,32).
What are the key properties of 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 454.53 g/mol, XLogP of -2.01, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 3133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).