1-ethyl-3-(4-hydroxybutyl)imidazol-2-one

C9H16N2O2 — CID 80581215

IUPAC1-ethyl-3-(4-hydroxybutyl)imidazol-2-one
SMILESCCn1ccn(CCCCO)c1=O
InChIInChI=1S/C9H16N2O2/c1-2-10-6-7-11(9(10)13)5-3-4-8-12/h6-7,12H,2-5,8H2,1H3
InChIKeyRJQHCNZHTOFDAM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds5

About 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one

1-ethyl-3-(4-hydroxybutyl)imidazol-2-one (PubChem CID 80581215) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-hydroxybutyl)imidazol-2-one
PubChem CID80581215
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-ethyl-3-(4-hydroxybutyl)imidazol-2-one
SMILESCCn1ccn(CCCCO)c1=O
InChIInChI=1S/C9H16N2O2/c1-2-10-6-7-11(9(10)13)5-3-4-8-12/h6-7,12H,2-5,8H2,1H3
InChIKeyRJQHCNZHTOFDAM-UHFFFAOYSA-N
XLogP0.44
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one?
The IUPAC name of 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one (CID 80581215) is 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one?
The canonical SMILES for 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one is CCn1ccn(CCCCO)c1=O.
What is the InChIKey of 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one?
The InChIKey is RJQHCNZHTOFDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-10-6-7-11(9(10)13)5-3-4-8-12/h6-7,12H,2-5,8H2,1H3.
What are the key properties of 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one?
1-ethyl-3-(4-hydroxybutyl)imidazol-2-one has a molecular weight of 184.24 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-hydroxybutyl)imidazol-2-one is sourced from PubChem (CID 80581215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).