4-octyl-1,3-dihydroimidazol-2-one

C11H20N2O — CID 137491738

IUPAC4-octyl-1,3-dihydroimidazol-2-one
SMILESCCCCCCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-12-11(14)13-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyWGZNBECTYYKGES-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.61
Rot. Bonds7

About 4-octyl-1,3-dihydroimidazol-2-one

4-octyl-1,3-dihydroimidazol-2-one (PubChem CID 137491738) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-octyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-octyl-1,3-dihydroimidazol-2-one
PubChem CID137491738
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name4-octyl-1,3-dihydroimidazol-2-one
SMILESCCCCCCCCc1c[nH]c(=O)[nH]1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-12-11(14)13-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyWGZNBECTYYKGES-UHFFFAOYSA-N
XLogP2.61
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 4-octyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-octyl-1,3-dihydroimidazol-2-one (CID 137491738) is 4-octyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-octyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-octyl-1,3-dihydroimidazol-2-one is CCCCCCCCc1c[nH]c(=O)[nH]1.
What is the InChIKey of 4-octyl-1,3-dihydroimidazol-2-one?
The InChIKey is WGZNBECTYYKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-12-11(14)13-10/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 4-octyl-1,3-dihydroimidazol-2-one?
4-octyl-1,3-dihydroimidazol-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 137491738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).