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

C12H22N2O — CID 23207466

IUPAC4-butyl-3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1c(CCCC)c[nH]c1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-14-11(8-6-4-2)10-13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyPFRNUCQUXSJJHS-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.71
Rot. Bonds7

About 4-butyl-3-pentyl-1H-imidazol-2-one

4-butyl-3-pentyl-1H-imidazol-2-one (PubChem CID 23207466) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-butyl-3-pentyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-butyl-3-pentyl-1H-imidazol-2-one
PubChem CID23207466
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-butyl-3-pentyl-1H-imidazol-2-one
SMILESCCCCCn1c(CCCC)c[nH]c1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-14-11(8-6-4-2)10-13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyPFRNUCQUXSJJHS-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 4-butyl-3-pentyl-1H-imidazol-2-one?
The IUPAC name of 4-butyl-3-pentyl-1H-imidazol-2-one (CID 23207466) is 4-butyl-3-pentyl-1H-imidazol-2-one.
What is the SMILES notation for 4-butyl-3-pentyl-1H-imidazol-2-one?
The canonical SMILES for 4-butyl-3-pentyl-1H-imidazol-2-one is CCCCCn1c(CCCC)c[nH]c1=O.
What is the InChIKey of 4-butyl-3-pentyl-1H-imidazol-2-one?
The InChIKey is PFRNUCQUXSJJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-9-14-11(8-6-4-2)10-13-12(14)15/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 4-butyl-3-pentyl-1H-imidazol-2-one?
4-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 4-butyl-3-pentyl-1H-imidazol-2-one is sourced from PubChem (CID 23207466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).