1,3-dibutyl-4-fluoroimidazol-2-one

C11H19FN2O — CID 151172496

IUPAC1,3-dibutyl-4-fluoroimidazol-2-one
SMILESCCCCn1cc(F)n(CCCC)c1=O
InChIInChI=1S/C11H19FN2O/c1-3-5-7-13-9-10(12)14(11(13)15)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyNCOQSRXQXUAKSA-UHFFFAOYSA-N
MW214.28 g/mol
LogP2.39
Rot. Bonds6

About 1,3-dibutyl-4-fluoroimidazol-2-one

1,3-dibutyl-4-fluoroimidazol-2-one (PubChem CID 151172496) has the molecular formula C11H19FN2O and a molecular weight of 214.28 g/mol. Its IUPAC name is 1,3-dibutyl-4-fluoroimidazol-2-one.

Molecular Properties

Compound Name1,3-dibutyl-4-fluoroimidazol-2-one
PubChem CID151172496
Molecular FormulaC11H19FN2O
Molecular Weight214.28 g/mol
Exact Mass214.15
IUPAC Name1,3-dibutyl-4-fluoroimidazol-2-one
SMILESCCCCn1cc(F)n(CCCC)c1=O
InChIInChI=1S/C11H19FN2O/c1-3-5-7-13-9-10(12)14(11(13)15)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyNCOQSRXQXUAKSA-UHFFFAOYSA-N
XLogP2.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-4-fluoroimidazol-2-one?
The IUPAC name of 1,3-dibutyl-4-fluoroimidazol-2-one (CID 151172496) is 1,3-dibutyl-4-fluoroimidazol-2-one.
What is the SMILES notation for 1,3-dibutyl-4-fluoroimidazol-2-one?
The canonical SMILES for 1,3-dibutyl-4-fluoroimidazol-2-one is CCCCn1cc(F)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-4-fluoroimidazol-2-one?
The InChIKey is NCOQSRXQXUAKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O/c1-3-5-7-13-9-10(12)14(11(13)15)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,3-dibutyl-4-fluoroimidazol-2-one?
1,3-dibutyl-4-fluoroimidazol-2-one has a molecular weight of 214.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-4-fluoroimidazol-2-one is sourced from PubChem (CID 151172496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).