3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one

C16H24N2O2 — CID 83262651

IUPAC3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)CNC1c1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-10-18-15(19)12-17-16(18)13-8-7-9-14(11-13)20-2/h7-9,11,16-17H,3-6,10,12H2,1-2H3
InChIKeySFEHVORQHRYILQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.71
Rot. Bonds7

About 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one

3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one (PubChem CID 83262651) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
PubChem CID83262651
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one
SMILESCCCCCCN1C(=O)CNC1c1cccc(OC)c1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-6-10-18-15(19)12-17-16(18)13-8-7-9-14(11-13)20-2/h7-9,11,16-17H,3-6,10,12H2,1-2H3
InChIKeySFEHVORQHRYILQ-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(dimethylamino)propyl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83249778
2-(3-methoxyphenyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83253145
3-(3-ethylpentan-2-yl)-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83262898
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
2-(5-methylthiophen-2-yl)-3-octylimidazolidin-4-one
CID 83260835
5-butyl-2-(3-methoxyphenyl)-3-methylimidazolidin-4-one
CID 83259614
5-(3-methoxyphenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241897
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103
3-[4-(dimethylamino)butan-2-yl]-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83253333
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966
3-(2-cyclopropylethyl)-2-(4-methoxyphenyl)imidazolidin-4-one
CID 83259179
3-butyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 83238040

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one?
The IUPAC name of 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one (CID 83262651) is 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one?
The canonical SMILES for 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one is CCCCCCN1C(=O)CNC1c1cccc(OC)c1.
What is the InChIKey of 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one?
The InChIKey is SFEHVORQHRYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-6-10-18-15(19)12-17-16(18)13-8-7-9-14(11-13)20-2/h7-9,11,16-17H,3-6,10,12H2,1-2H3.
What are the key properties of 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one?
3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2-(3-methoxyphenyl)imidazolidin-4-one is sourced from PubChem (CID 83262651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).