4-hexyl-5-methylimidazolidin-2-one

C10H20N2O — CID 85446060

IUPAC4-hexyl-5-methylimidazolidin-2-one
SMILESCCCCCCC1NC(=O)NC1C
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-9-8(2)11-10(13)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyBAMZCWDZLQLWLC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.03
Rot. Bonds5

About 4-hexyl-5-methylimidazolidin-2-one

4-hexyl-5-methylimidazolidin-2-one (PubChem CID 85446060) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-hexyl-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-hexyl-5-methylimidazolidin-2-one
PubChem CID85446060
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-hexyl-5-methylimidazolidin-2-one
SMILESCCCCCCC1NC(=O)NC1C
InChIInChI=1S/C10H20N2O/c1-3-4-5-6-7-9-8(2)11-10(13)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13)
InChIKeyBAMZCWDZLQLWLC-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-hexyl-5-methylimidazolidin-2-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

4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
4-ethyl-5-methylimidazolidin-2-one
CID 22042260
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
CID 73212702
CID 73212702
4-methyl-5-(18-methyl-6-oxononadecyl)imidazolidin-2-one
CID 167640123
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 131983512

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-5-methylimidazolidin-2-one?
The IUPAC name of 4-hexyl-5-methylimidazolidin-2-one (CID 85446060) is 4-hexyl-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-hexyl-5-methylimidazolidin-2-one?
The canonical SMILES for 4-hexyl-5-methylimidazolidin-2-one is CCCCCCC1NC(=O)NC1C.
What is the InChIKey of 4-hexyl-5-methylimidazolidin-2-one?
The InChIKey is BAMZCWDZLQLWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-4-5-6-7-9-8(2)11-10(13)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-hexyl-5-methylimidazolidin-2-one?
4-hexyl-5-methylimidazolidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-5-methylimidazolidin-2-one is sourced from PubChem (CID 85446060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).