5-butyl-3-pentyl-1H-imidazol-2-one

C12H22N2O — CID 18384821

IUPAC5-butyl-3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1cc(CCCC)[nH]c1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-14-10-11(8-6-4-2)13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyQXBFBUUOCJZUMP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.71
Rot. Bonds7

About 5-butyl-3-pentyl-1H-imidazol-2-one

5-butyl-3-pentyl-1H-imidazol-2-one (PubChem CID 18384821) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 5-butyl-3-pentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-pentyl-1H-imidazol-2-one
PubChem CID18384821
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name5-butyl-3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1cc(CCCC)[nH]c1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-14-10-11(8-6-4-2)13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyQXBFBUUOCJZUMP-UHFFFAOYSA-N
XLogP2.71
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.71
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 5-butyl-3-pentyl-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-pentyl-1H-imidazol-2-one (CID 18384821) is 5-butyl-3-pentyl-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-pentyl-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-pentyl-1H-imidazol-2-one is CCCCCn1cc(CCCC)[nH]c1=O.
What is the InChIKey of 5-butyl-3-pentyl-1H-imidazol-2-one?
The InChIKey is QXBFBUUOCJZUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-9-14-10-11(8-6-4-2)13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 5-butyl-3-pentyl-1H-imidazol-2-one?
5-butyl-3-pentyl-1H-imidazol-2-one has a molecular weight of 210.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-pentyl-1H-imidazol-2-one is sourced from PubChem (CID 18384821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).