3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one

C18H28N2O — CID 114926561

IUPAC3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)C(CCc2ccccc2)NC1C
InChIInChI=1S/C18H28N2O/c1-3-4-5-9-14-20-15(2)19-17(18(20)21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,3-5,9,12-14H2,1-2H3
InChIKeyJXVRYSHTIHPSKB-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.35
Rot. Bonds8

About 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one

3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one (PubChem CID 114926561) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
PubChem CID114926561
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)C(CCc2ccccc2)NC1C
InChIInChI=1S/C18H28N2O/c1-3-4-5-9-14-20-15(2)19-17(18(20)21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,3-5,9,12-14H2,1-2H3
InChIKeyJXVRYSHTIHPSKB-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-3-hexyl-2-methylimidazolidin-4-one
CID 83263610
2-methyl-5-(2-phenylethyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 114928963
2-ethyl-5-(2-phenylethyl)-3-propylimidazolidin-4-one
CID 114921936
5-ethyl-2-methyl-3-pentylimidazolidin-4-one
CID 83251398
3-(2-cyclopropylpropyl)-2-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114929268
5-butyl-2-methyl-3-(5-methylhexyl)imidazolidin-4-one
CID 83259831
5-butyl-3-[3-(dimethylamino)propyl]-2-methylimidazolidin-4-one
CID 83251042
2-ethyl-3-(3-methylbutyl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114921334
3-ethyl-6-methyl-1-(4-phenylbutyl)piperazine-2,5-dione
CID 114334980
2-ethyl-3-(2-methylpropyl)-5-(2-phenylethyl)imidazolidin-4-one
CID 114921798
3,5-dibutyl-2-phenylimidazolidin-4-one
CID 83237789
3-(cyclopropylmethyl)-2-ethyl-5-(2-phenylethyl)imidazolidin-4-one
CID 114922068

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one?
The IUPAC name of 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one (CID 114926561) is 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one.
What is the SMILES notation for 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one?
The canonical SMILES for 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one is CCCCCCN1C(=O)C(CCc2ccccc2)NC1C.
What is the InChIKey of 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one?
The InChIKey is JXVRYSHTIHPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-9-14-20-15(2)19-17(18(20)21)13-12-16-10-7-6-8-11-16/h6-8,10-11,15,17,19H,3-5,9,12-14H2,1-2H3.
What are the key properties of 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one?
3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one has a molecular weight of 288.43 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-methyl-5-(2-phenylethyl)imidazolidin-4-one is sourced from PubChem (CID 114926561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).