3,5-dibutyl-2-phenylimidazolidin-4-one

C17H26N2O — CID 83237789

IUPAC3,5-dibutyl-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CCCC)C1=O
InChIInChI=1S/C17H26N2O/c1-3-5-12-15-17(20)19(13-6-4-2)16(18-15)14-10-8-7-9-11-14/h7-11,15-16,18H,3-6,12-13H2,1-2H3
InChIKeyTYLPHIKTXLPIHA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds7

About 3,5-dibutyl-2-phenylimidazolidin-4-one

3,5-dibutyl-2-phenylimidazolidin-4-one (PubChem CID 83237789) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3,5-dibutyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3,5-dibutyl-2-phenylimidazolidin-4-one
PubChem CID83237789
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3,5-dibutyl-2-phenylimidazolidin-4-one
SMILESCCCCC1NC(c2ccccc2)N(CCCC)C1=O
InChIInChI=1S/C17H26N2O/c1-3-5-12-15-17(20)19(13-6-4-2)16(18-15)14-10-8-7-9-11-14/h7-11,15-16,18H,3-6,12-13H2,1-2H3
InChIKeyTYLPHIKTXLPIHA-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibutyl-2-phenylimidazolidin-4-one?
The IUPAC name of 3,5-dibutyl-2-phenylimidazolidin-4-one (CID 83237789) is 3,5-dibutyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3,5-dibutyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3,5-dibutyl-2-phenylimidazolidin-4-one is CCCCC1NC(c2ccccc2)N(CCCC)C1=O.
What is the InChIKey of 3,5-dibutyl-2-phenylimidazolidin-4-one?
The InChIKey is TYLPHIKTXLPIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-12-15-17(20)19(13-6-4-2)16(18-15)14-10-8-7-9-11-14/h7-11,15-16,18H,3-6,12-13H2,1-2H3.
What are the key properties of 3,5-dibutyl-2-phenylimidazolidin-4-one?
3,5-dibutyl-2-phenylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibutyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83237789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).