4-(2-butoxy-6-fluorophenyl)imidazol-2-one

C13H13FN2O2 — CID 174894987

IUPAC4-(2-butoxy-6-fluorophenyl)imidazol-2-one
SMILESCCCCOc1cccc(F)c1C1=NC(=O)N=C1
InChIInChI=1S/C13H13FN2O2/c1-2-3-7-18-11-6-4-5-9(14)12(11)10-8-15-13(17)16-10/h4-6,8H,2-3,7H2,1H3
InChIKeyZAPLDASTLVHTRL-UHFFFAOYSA-N
MW248.26 g/mol
LogP3.00
Rot. Bonds5

About 4-(2-butoxy-6-fluorophenyl)imidazol-2-one

4-(2-butoxy-6-fluorophenyl)imidazol-2-one (PubChem CID 174894987) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(2-butoxy-6-fluorophenyl)imidazol-2-one.

Molecular Properties

Compound Name4-(2-butoxy-6-fluorophenyl)imidazol-2-one
PubChem CID174894987
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-(2-butoxy-6-fluorophenyl)imidazol-2-one
SMILESCCCCOc1cccc(F)c1C1=NC(=O)N=C1
InChIInChI=1S/C13H13FN2O2/c1-2-3-7-18-11-6-4-5-9(14)12(11)10-8-15-13(17)16-10/h4-6,8H,2-3,7H2,1H3
InChIKeyZAPLDASTLVHTRL-UHFFFAOYSA-N
XLogP3.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-6-fluoroaniline
CID 60790205
5-butoxynaphthalene-1,4-dione
CID 15194033
1,3-dibutoxy-2-methylbenzene
CID 14475066
1,5-di(pentadecoxy)anthracene-9,10-dione
CID 132915778
(2-butoxy-6-fluorophenyl)-dimethylborane
CID 67978515
4-(2-fluorophenyl)imidazol-2-one
CID 57279310
2-(4-butoxyphenyl)-1,3-difluorobenzene
CID 59931484
1-dodecoxy-2,3-difluorobenzene
CID 15854521
2-(2-butyl-3-fluorophenoxy)ethanol
CID 58241917
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
1-fluoro-2-nitro-3-octoxybenzene
CID 63504973
1-butoxy-6,7-difluoronaphthalene
CID 70812007

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxy-6-fluorophenyl)imidazol-2-one?
The IUPAC name of 4-(2-butoxy-6-fluorophenyl)imidazol-2-one (CID 174894987) is 4-(2-butoxy-6-fluorophenyl)imidazol-2-one.
What is the SMILES notation for 4-(2-butoxy-6-fluorophenyl)imidazol-2-one?
The canonical SMILES for 4-(2-butoxy-6-fluorophenyl)imidazol-2-one is CCCCOc1cccc(F)c1C1=NC(=O)N=C1.
What is the InChIKey of 4-(2-butoxy-6-fluorophenyl)imidazol-2-one?
The InChIKey is ZAPLDASTLVHTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-2-3-7-18-11-6-4-5-9(14)12(11)10-8-15-13(17)16-10/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 4-(2-butoxy-6-fluorophenyl)imidazol-2-one?
4-(2-butoxy-6-fluorophenyl)imidazol-2-one has a molecular weight of 248.26 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxy-6-fluorophenyl)imidazol-2-one is sourced from PubChem (CID 174894987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).