3-octan-4-yl-2-phenylimidazolidin-4-one

C17H26N2O — CID 106021439

IUPAC3-octan-4-yl-2-phenylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)CNC1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-5-12-15(9-4-2)19-16(20)13-18-17(19)14-10-7-6-8-11-14/h6-8,10-11,15,17-18H,3-5,9,12-13H2,1-2H3
InChIKeyDZTNZDJKJACXCZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.48
Rot. Bonds7

About 3-octan-4-yl-2-phenylimidazolidin-4-one

3-octan-4-yl-2-phenylimidazolidin-4-one (PubChem CID 106021439) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-octan-4-yl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-octan-4-yl-2-phenylimidazolidin-4-one
PubChem CID106021439
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-octan-4-yl-2-phenylimidazolidin-4-one
SMILESCCCCC(CCC)N1C(=O)CNC1c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-5-12-15(9-4-2)19-16(20)13-18-17(19)14-10-7-6-8-11-14/h6-8,10-11,15,17-18H,3-5,9,12-13H2,1-2H3
InChIKeyDZTNZDJKJACXCZ-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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Related Compounds

2-(4-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83263819
2-(3-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83262999
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
CID 106021540
2-(4-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242920
1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756
3-pentan-3-yl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83246176
2-(2,5-dimethylphenyl)-3-hexan-3-ylimidazolidin-4-one
CID 83252372
3-(1-methoxybutan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83258634
2-(4-ethoxyphenyl)-3-(1-methoxybutan-2-yl)imidazolidin-4-one
CID 83263485
3-(6-methylheptan-2-yl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83252329
3-pentan-2-yl-2-[2-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83237657

Frequently Asked Questions

What is the IUPAC name of 3-octan-4-yl-2-phenylimidazolidin-4-one?
The IUPAC name of 3-octan-4-yl-2-phenylimidazolidin-4-one (CID 106021439) is 3-octan-4-yl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-octan-4-yl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-octan-4-yl-2-phenylimidazolidin-4-one is CCCCC(CCC)N1C(=O)CNC1c1ccccc1.
What is the InChIKey of 3-octan-4-yl-2-phenylimidazolidin-4-one?
The InChIKey is DZTNZDJKJACXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-12-15(9-4-2)19-16(20)13-18-17(19)14-10-7-6-8-11-14/h6-8,10-11,15,17-18H,3-5,9,12-13H2,1-2H3.
What are the key properties of 3-octan-4-yl-2-phenylimidazolidin-4-one?
3-octan-4-yl-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-octan-4-yl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 106021439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).