4-pentylimidazol-2-one

C8H12N2O — CID 68863612

IUPAC4-pentylimidazol-2-one
SMILESCCCCCC1=NC(=O)N=C1
InChIInChI=1S/C8H12N2O/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3
InChIKeyLKSXEJSPCCIEOE-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.21
Rot. Bonds4

About 4-pentylimidazol-2-one

4-pentylimidazol-2-one (PubChem CID 68863612) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-pentylimidazol-2-one.

Molecular Properties

Compound Name4-pentylimidazol-2-one
PubChem CID68863612
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-pentylimidazol-2-one
SMILESCCCCCC1=NC(=O)N=C1
InChIInChI=1S/C8H12N2O/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3
InChIKeyLKSXEJSPCCIEOE-UHFFFAOYSA-N
XLogP2.21
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.21
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-undecylimidazol-2-one
CID 154200859
4-propylimidazol-2-one
CID 149250908
(4-pentylimidazol-2-ylidene)methanone
CID 87383361
2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
2-octylquinoline-3,4-dione
CID 75580776
2-nonylpyrimidine
CID 23297050
2,6-dipentylpyridine
CID 58097448
5-nonyl-2H-pyrrole
CID 67015272
4-(2-butoxy-6-fluorophenyl)imidazol-2-one
CID 174894987
2,3-didecylcyclohexa-2,5-diene-1,4-dione;hydrochloride
CID 175360456
2,6-didodecylpyridine
CID 90943274
2-dodecylpyrimidine;methane
CID 174491203

Frequently Asked Questions

What is the IUPAC name of 4-pentylimidazol-2-one?
The IUPAC name of 4-pentylimidazol-2-one (CID 68863612) is 4-pentylimidazol-2-one.
What is the SMILES notation for 4-pentylimidazol-2-one?
The canonical SMILES for 4-pentylimidazol-2-one is CCCCCC1=NC(=O)N=C1.
What is the InChIKey of 4-pentylimidazol-2-one?
The InChIKey is LKSXEJSPCCIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-3-4-5-7-6-9-8(11)10-7/h6H,2-5H2,1H3.
What are the key properties of 4-pentylimidazol-2-one?
4-pentylimidazol-2-one has a molecular weight of 152.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylimidazol-2-one is sourced from PubChem (CID 68863612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).