4-methyl-5-(6-oxoheptyl)imidazolidin-2-one

C11H20N2O2 — CID 155283579

IUPAC4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
SMILESCC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeySXSMWFGIKGFBOG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.60
Rot. Bonds6

About 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one

4-methyl-5-(6-oxoheptyl)imidazolidin-2-one (PubChem CID 155283579) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
PubChem CID155283579
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
SMILESCC(=O)CCCCCC1NC(=O)NC1C
InChIInChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeySXSMWFGIKGFBOG-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
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
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
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
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The IUPAC name of 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one (CID 155283579) is 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one.
What is the SMILES notation for 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The canonical SMILES for 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one is CC(=O)CCCCCC1NC(=O)NC1C.
What is the InChIKey of 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
The InChIKey is SXSMWFGIKGFBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(14)6-4-3-5-7-10-9(2)12-11(15)13-10/h9-10H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one?
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(6-oxoheptyl)imidazolidin-2-one is sourced from PubChem (CID 155283579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).