4-undecylimidazol-2-one

C14H24N2O — CID 154200859

IUPAC4-undecylimidazol-2-one
SMILESCCCCCCCCCCCC1=NC(=O)N=C1
InChIInChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-9-10-11-13-12-15-14(17)16-13/h12H,2-11H2,1H3
InChIKeyUIEWYVQDIDVHPS-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.55
Rot. Bonds10

About 4-undecylimidazol-2-one

4-undecylimidazol-2-one (PubChem CID 154200859) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-undecylimidazol-2-one.

Molecular Properties

Compound Name4-undecylimidazol-2-one
PubChem CID154200859
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-undecylimidazol-2-one
SMILESCCCCCCCCCCCC1=NC(=O)N=C1
InChIInChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-9-10-11-13-12-15-14(17)16-13/h12H,2-11H2,1H3
InChIKeyUIEWYVQDIDVHPS-UHFFFAOYSA-N
XLogP4.55
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.55
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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Related Compounds

4-pentylimidazol-2-one
CID 68863612
(4-pentylimidazol-2-ylidene)methanone
CID 87383361
2-nonylpyrimidine
CID 23297050
2-octylquinoline-3,4-dione
CID 75580776
5-nonyl-2H-pyrrole
CID 67015272
2,6-didodecylpyridine
CID 90943274
1-ethyl-2-henicosylbenzene
CID 141174443
2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
2-dodecylpyrimidine;methane
CID 174491203
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of 4-undecylimidazol-2-one?
The IUPAC name of 4-undecylimidazol-2-one (CID 154200859) is 4-undecylimidazol-2-one.
What is the SMILES notation for 4-undecylimidazol-2-one?
The canonical SMILES for 4-undecylimidazol-2-one is CCCCCCCCCCCC1=NC(=O)N=C1.
What is the InChIKey of 4-undecylimidazol-2-one?
The InChIKey is UIEWYVQDIDVHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-3-4-5-6-7-8-9-10-11-13-12-15-14(17)16-13/h12H,2-11H2,1H3.
What are the key properties of 4-undecylimidazol-2-one?
4-undecylimidazol-2-one has a molecular weight of 236.36 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undecylimidazol-2-one is sourced from PubChem (CID 154200859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).