3,5-dipentyl-1H-imidazol-2-one

C13H24N2O — CID 71295723

IUPAC3,5-dipentyl-1H-imidazol-2-one
SMILESCCCCCc1cn(CCCCC)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-12-11-15(13(16)14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyRLRRZOGCUJMZRA-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.10
Rot. Bonds8

About 3,5-dipentyl-1H-imidazol-2-one

3,5-dipentyl-1H-imidazol-2-one (PubChem CID 71295723) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,5-dipentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3,5-dipentyl-1H-imidazol-2-one
PubChem CID71295723
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,5-dipentyl-1H-imidazol-2-one
SMILESCCCCCc1cn(CCCCC)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-3-5-7-9-12-11-15(13(16)14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,16)
InChIKeyRLRRZOGCUJMZRA-UHFFFAOYSA-N
XLogP3.10
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,5-dipentyl-1H-imidazol-2-one?
The IUPAC name of 3,5-dipentyl-1H-imidazol-2-one (CID 71295723) is 3,5-dipentyl-1H-imidazol-2-one.
What is the SMILES notation for 3,5-dipentyl-1H-imidazol-2-one?
The canonical SMILES for 3,5-dipentyl-1H-imidazol-2-one is CCCCCc1cn(CCCCC)c(=O)[nH]1.
What is the InChIKey of 3,5-dipentyl-1H-imidazol-2-one?
The InChIKey is RLRRZOGCUJMZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-7-9-12-11-15(13(16)14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 3,5-dipentyl-1H-imidazol-2-one?
3,5-dipentyl-1H-imidazol-2-one has a molecular weight of 224.35 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1H-imidazol-2-one is sourced from PubChem (CID 71295723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).