1-methyl-3-(5-methylhexyl)imidazolidin-2-one

C11H22N2O — CID 167272324

IUPAC1-methyl-3-(5-methylhexyl)imidazolidin-2-one
SMILESCC(C)CCCCN1CCN(C)C1=O
InChIInChI=1S/C11H22N2O/c1-10(2)6-4-5-7-13-9-8-12(3)11(13)14/h10H,4-9H2,1-3H3
InChIKeyYFWVWAZHBDXOTQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.18
Rot. Bonds5

About 1-methyl-3-(5-methylhexyl)imidazolidin-2-one

1-methyl-3-(5-methylhexyl)imidazolidin-2-one (PubChem CID 167272324) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-3-(5-methylhexyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-methylhexyl)imidazolidin-2-one
PubChem CID167272324
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-3-(5-methylhexyl)imidazolidin-2-one
SMILESCC(C)CCCCN1CCN(C)C1=O
InChIInChI=1S/C11H22N2O/c1-10(2)6-4-5-7-13-9-8-12(3)11(13)14/h10H,4-9H2,1-3H3
InChIKeyYFWVWAZHBDXOTQ-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylhexyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-3-(5-methylhexyl)imidazolidin-2-one (CID 167272324) is 1-methyl-3-(5-methylhexyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-(5-methylhexyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-(5-methylhexyl)imidazolidin-2-one is CC(C)CCCCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(5-methylhexyl)imidazolidin-2-one?
The InChIKey is YFWVWAZHBDXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10(2)6-4-5-7-13-9-8-12(3)11(13)14/h10H,4-9H2,1-3H3.
What are the key properties of 1-methyl-3-(5-methylhexyl)imidazolidin-2-one?
1-methyl-3-(5-methylhexyl)imidazolidin-2-one has a molecular weight of 198.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylhexyl)imidazolidin-2-one is sourced from PubChem (CID 167272324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).