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

C16H26N4O6 — CID 134871153

IUPAC1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCCCN2C(=O)N(CO)C(C)(C)C2=O)C(=O)N1CO
InChIInChI=1S/C16H26N4O6/c1-15(2)11(23)17(13(25)19(15)9-21)7-5-6-8-18-12(24)16(3,4)20(10-22)14(18)26/h21-22H,5-10H2,1-4H3
InChIKeyZMPJKPFKYDTXOC-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.25
Rot. Bonds7

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

1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 134871153) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID134871153
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Name1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(CCCCN2C(=O)N(CO)C(C)(C)C2=O)C(=O)N1CO
InChIInChI=1S/C16H26N4O6/c1-15(2)11(23)17(13(25)19(15)9-21)7-5-6-8-18-12(24)16(3,4)20(10-22)14(18)26/h21-22H,5-10H2,1-4H3
InChIKeyZMPJKPFKYDTXOC-UHFFFAOYSA-N
XLogP-0.25
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione (CID 134871153) is 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(CCCCN2C(=O)N(CO)C(C)(C)C2=O)C(=O)N1CO.
What is the InChIKey of 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZMPJKPFKYDTXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-15(2)11(23)17(13(25)19(15)9-21)7-5-6-8-18-12(24)16(3,4)20(10-22)14(18)26/h21-22H,5-10H2,1-4H3.
What are the key properties of 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione?
1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 370.41 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-[4-[3-(hydroxymethyl)-4,4-dimethyl-2,5-dioxoimidazolidin-1-yl]butyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 134871153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).