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

C13H20N4O5 — CID 648961

IUPAC3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C13H20N4O5/c1-12(2)8(19)16(10(21)14-12)5-7(18)6-17-9(20)13(3,4)15-11(17)22/h7,18H,5-6H2,1-4H3,(H,14,21)(H,15,22)
InChIKeyUSWURLIDNHHYPL-UHFFFAOYSA-N
MW312.33 g/mol
LogP-0.99
Rot. Bonds4

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

3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 648961) has the molecular formula C13H20N4O5 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID648961
Molecular FormulaC13H20N4O5
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C13H20N4O5/c1-12(2)8(19)16(10(21)14-12)5-7(18)6-17-9(20)13(3,4)15-11(17)22/h7,18H,5-6H2,1-4H3,(H,14,21)(H,15,22)
InChIKeyUSWURLIDNHHYPL-UHFFFAOYSA-N
XLogP-0.99
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione (CID 648961) is 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is USWURLIDNHHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5/c1-12(2)8(19)16(10(21)14-12)5-7(18)6-17-9(20)13(3,4)15-11(17)22/h7,18H,5-6H2,1-4H3,(H,14,21)(H,15,22).
What are the key properties of 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 648961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).