5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one

C14H22N2O — CID 18384322

IUPAC5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one
SMILESCCCCc1cn(CCC2=CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h6,11H,2-5,7-10H2,1H3,(H,15,17)
InChIKeyMCMAUBIFEUVEIJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.02
Rot. Bonds6

About 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one

5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one (PubChem CID 18384322) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one
PubChem CID18384322
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one
SMILESCCCCc1cn(CCC2=CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h6,11H,2-5,7-10H2,1H3,(H,15,17)
InChIKeyMCMAUBIFEUVEIJ-UHFFFAOYSA-N
XLogP3.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one (CID 18384322) is 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one is CCCCc1cn(CCC2=CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one?
The InChIKey is MCMAUBIFEUVEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-8-13-11-16(14(17)15-13)10-9-12-6-4-5-7-12/h6,11H,2-5,7-10H2,1H3,(H,15,17).
What are the key properties of 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one?
5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[2-(cyclopenten-1-yl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 18384322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).