3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one

C12H13FN2O — CID 103125812

IUPAC3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1cc(F)ccc1CCn1cc[nH]c1=O
InChIInChI=1S/C12H13FN2O/c1-9-8-11(13)3-2-10(9)4-6-15-7-5-14-12(15)16/h2-3,5,7-8H,4,6H2,1H3,(H,14,16)
InChIKeyZZAFCSIPBOIUAM-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.87
Rot. Bonds3

About 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one

3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one (PubChem CID 103125812) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one
PubChem CID103125812
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one
SMILESCc1cc(F)ccc1CCn1cc[nH]c1=O
InChIInChI=1S/C12H13FN2O/c1-9-8-11(13)3-2-10(9)4-6-15-7-5-14-12(15)16/h2-3,5,7-8H,4,6H2,1H3,(H,14,16)
InChIKeyZZAFCSIPBOIUAM-UHFFFAOYSA-N
XLogP1.87
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one (CID 103125812) is 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one is Cc1cc(F)ccc1CCn1cc[nH]c1=O.
What is the InChIKey of 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one?
The InChIKey is ZZAFCSIPBOIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-9-8-11(13)3-2-10(9)4-6-15-7-5-14-12(15)16/h2-3,5,7-8H,4,6H2,1H3,(H,14,16).
What are the key properties of 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one?
3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-2-methylphenyl)ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 103125812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).