1,3-dipentylimidazolidin-4-one

C13H26N2O — CID 70598443

IUPAC1,3-dipentylimidazolidin-4-one
SMILESCCCCCN1CC(=O)N(CCCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-5-7-9-14-11-13(16)15(12-14)10-8-6-4-2/h3-12H2,1-2H3
InChIKeyHVFWGKBBNCZCNW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.47
Rot. Bonds8

About 1,3-dipentylimidazolidin-4-one

1,3-dipentylimidazolidin-4-one (PubChem CID 70598443) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,3-dipentylimidazolidin-4-one.

Molecular Properties

Compound Name1,3-dipentylimidazolidin-4-one
PubChem CID70598443
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1,3-dipentylimidazolidin-4-one
SMILESCCCCCN1CC(=O)N(CCCCC)C1
InChIInChI=1S/C13H26N2O/c1-3-5-7-9-14-11-13(16)15(12-14)10-8-6-4-2/h3-12H2,1-2H3
InChIKeyHVFWGKBBNCZCNW-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-heptyl-3-methylimidazolidine-2,4-dione
CID 67719107
1,3-dioctylimidazolidin-2-one
CID 19987667
4-butyl-1-methylpiperazin-2-one
CID 117005150
1,3,5-tri(hexacosyl)-1,3,5-triazinane
CID 175381685
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
1-pentylazetidine-2,4-dione
CID 69124184
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-propyl-4-(9-sulfanylnonyl)piperazine-2,5-dione
CID 105344649
1-(9-bromononyl)-4-propylpiperazine-2,5-dione
CID 105343167
1-pentadecylpiperidin-4-one
CID 10267366

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentylimidazolidin-4-one?
The IUPAC name of 1,3-dipentylimidazolidin-4-one (CID 70598443) is 1,3-dipentylimidazolidin-4-one.
What is the SMILES notation for 1,3-dipentylimidazolidin-4-one?
The canonical SMILES for 1,3-dipentylimidazolidin-4-one is CCCCCN1CC(=O)N(CCCCC)C1.
What is the InChIKey of 1,3-dipentylimidazolidin-4-one?
The InChIKey is HVFWGKBBNCZCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-7-9-14-11-13(16)15(12-14)10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1,3-dipentylimidazolidin-4-one?
1,3-dipentylimidazolidin-4-one has a molecular weight of 226.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentylimidazolidin-4-one is sourced from PubChem (CID 70598443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).