4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one

C13H25N3O — CID 166845469

IUPAC4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)CC)N(CCC)C(=O)N1CCC
InChIInChI=1S/C13H25N3O/c1-5-8-15-11(10(4)7-3)12(14)16(9-6-2)13(15)17/h10-11,14H,5-9H2,1-4H3/b14-12-
InChIKeyXDGAJGRHXFTYTQ-OWBHPGMISA-N
MW239.36 g/mol
LogP2.94
Rot. Bonds6

About 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one

4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one (PubChem CID 166845469) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one
PubChem CID166845469
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one
SMILES[H]/N=C1/C(C(C)CC)N(CCC)C(=O)N1CCC
InChIInChI=1S/C13H25N3O/c1-5-8-15-11(10(4)7-3)12(14)16(9-6-2)13(15)17/h10-11,14H,5-9H2,1-4H3/b14-12-
InChIKeyXDGAJGRHXFTYTQ-OWBHPGMISA-N
XLogP2.94
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one?
The IUPAC name of 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one (CID 166845469) is 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one is [H]/N=C1/C(C(C)CC)N(CCC)C(=O)N1CCC.
What is the InChIKey of 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one?
The InChIKey is XDGAJGRHXFTYTQ-OWBHPGMISA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-15-11(10(4)7-3)12(14)16(9-6-2)13(15)17/h10-11,14H,5-9H2,1-4H3/b14-12-.
What are the key properties of 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one?
4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-imino-1,3-dipropylimidazolidin-2-one is sourced from PubChem (CID 166845469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).